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Aniline(CAS No. 62-53-3)

Aniline C6H7N (cas 62-53-3) Molecular Structure

62-53-3 Structure

Identification and Related Records

【Name】
Aniline
【CAS Registry number】
62-53-3
【Synonyms】
Aniline, 99,5%, 99,6%min
Aminobenzene
Phenylamine
Benzamine
【EINECS(EC#)】
200-539-3
【Molecular Formula】
C6H7N (Products with the same molecular formula)
【Molecular Weight】
93.13
【Inchi】
InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
【Canonical SMILES】
C1=CC=C(C=C1)N
【MOL File】
62-53-3.mol

Chemical and Physical Properties

【Appearance】
colourless liquid
【Density】
1.0213
【Melting Point】
-6.2℃
【Boiling Point】
181-185℃
【Refractive Index】
1.5845-1.5865
【Flash Point】
76℃
【Water】
36 g/L (20℃)
【Solubilities】
36 g/L (20 oC)
【Color/Form】
OILY LIQUID, COLORLESS WHEN PURE
COLORLESS WITH A BLUISH FLUORESCENCE WHEN FRESHLY DISTILLED
Colorless to brown, oily liquid
【Stability】
Stable. Incompatible with oxidizing agents, bases, acids, iron and iron salts, zinc, aluminium. Light sensitive. Combustible.
【Storage temp】
2-8°C
【Spectral properties】
Index of refraction: 1.5863 @ 20 deg C/D
MAX ABSORPTION (ALCOHOL): 234.5 NM (LOG E= 3.90); 284.5 NM (LOG E= 3.23)
IR: 4834 (Coblentz Society Spectral Collection)
UV: 1129 (Sadtler Research Laboratories Spectral Collection)
NMR: 191 (Sadtler Research Laboratories Spectral Collection)
MASS: 192 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Intense mass spectral peaks: 66 m/z, 93 m/z
【Computed Properties】
Molecular Weight:93.12648 [g/mol]
Molecular Formula:C6H7N
XLogP3:0.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:93.057849
MonoIsotopic Mass:93.057849
Topological Polar Surface Area:26
Heavy Atom Count:7
Formal Charge:0
Complexity:46.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R23/24/25;R40;R41;R43;R48/23/24/25;R50;R68
【Safety Statements 】
S26;S27;S36/37/39;S45;S46;S61
【HazardClass】
6.1
【PackingGroup 】
II
【Skin, Eye, and Respiratory Irritations】
Liquid aniline is mildly irritating to the eyes ...
A skin and severe eye irritant ...
【Cleanup Methods】
/Absorb spilled aniline in/ vermiculite, dry sand, earth, or similar material ... /and properly dispose/.
Small amounts, react with hydrogen chloride, dissolve in water ... /& dispose of properly/.
If ... spilled or leaked, the following steps should be taken: 1. Ventilate area of spill or leak. 2. For small quantities, absorb on paper towels. Evaporate in a safe place, (such as a fume hood). Allow sufficient time for the evaporating vapors to completely clear the hood's duct work. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected & atomized in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device.
Environmental consideration: Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material /SRP: until properly disposed/. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Apply "universal" gelling agent to immobilize the spill. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./
Environmental consideration: Water spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom /SRP: until properly disposed/. If dissolved, in region of 10 ppm or greater concn, apply activated carbon at ten times the spilled amount. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
Environmental consideration: Air spill: Apply water or mist to knock down vapors.
Approach release from upwind. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors and protect personnel. Control runoff and isolate discharged material for proper disposal.
PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/
【Transport】
UN 1547
【Fire Fighting Procedures】
USE WATER SPRAY, DRY CHEM, FOAM, OR CARBON DIOXIDE. USE WATER TO KEEP FIRE EXPOSED CONTAINERS COOL.
Respiratory protection from aniline while firefighting is as follows: self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Aniline hydrochloride/
【Fire Potential】
A combustible liquid when exposed to heat or flame.
Ignites on contact with sodium peroxide + water.
【Formulations/Preparations】
Grades: commercial; chemically pure
Typical commercial grade contains 99.9% (min) aniline, 0.0002% (max) nitrobenzene & 0.1% (max) moisture
【DOT Emergency Guidelines】
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
【Reactivities and Incompatibilities】
/Benzenediazonium-2-carboxylate/ ... reacts explosively with aniline ...
/The interaction between aniline & boron trichloride/ in the absence of cooling or diluent is violent.
Addition of a drop of aniline to 1 g of dibenzoyl peroxide leads to mildly explosive decomposition after a short delay.
Addition of /aniline/ ... to nitromethane renders it susceptible to initiation by a detonator.
Aniline reacts with perchloric acid and then formaldehyde to produce an explosive and combustible condensed resin.
Formaldehyde ... & aniline reacts violently with 90% performic acid.
Many of the reactions of N-chloro & N-bromoimides are extremely violent or explosive. Those observed include ... n-bromosuccinimide with aniline ...
Mixtures of amines, for example aniline, with (19.50%) tetranitromethane ignite in 35-55 seconds, and will proceed to detonation if the depth of liquid is above a critical value.
FORMS EXPLOSIVE WITH OZONE.
A mixture of aniline and trichloronitromethane can produce a violent reaction. Chloropicrin will intensely react upon heating. Ignition will occur on contact with nitric acid or potassium or sodium peroxide. An intense reaction will occur with hexachloromelamine.
/Aniline/ vapor forms explosive mixtures with air.
It can react vigorously with oxidizing materials. ... Spontaneously explosive reactions occur with ... fluorine nitrate, nitrosyl perchlorate, ... Violent reactions with peroxyformic acid, diisopropyl peroxydicarbonate, fluorine, trichloronitromethane (145 deg C), ... chlorosulfonic acid, ... (nitric acid + N2O4 + sulfuric acid), ... (HCHO + HClO4) ... beta-propiolactone ... AgClO4, ... peroxydisulfuric acid, FO3Cl, diisopropyl peroxy-dicarbonate, n-haloimides, ... Ignites on contact with sodium peroxide + water. Forms heat- or shock-sensitive explosive mixtures with anilinium chloride (detonates at 240 deg C/7.6 bar) ... hydrogen peroxide, 1-chloro-2,3-epoxypropane, and peroxomonosulfuric acid. Reactions with perchloryl fluoride ... form explosive products.
Mixing aniline and acetic anhydride /or chlorosulfonic acid/ in a closed container caused the temperature & pressure to increase.
Aniline ignites spontaneously in the presence of red fuming nitric acid.
In the reaction of these three ingredients /aniline, nitrobenzene & glycerine/ to form quinoline, with ferrous sulfate as catalyst, there was too much sulfuric acid and too little water present. The resultant excessive temp initiated a runaway reaction. The rupture disc & the manhole cover of the vessel blew out; the contents erupted from the vessel.
Mixing aniline & oleum in a closed container caused the temp and pressure to increase.
A mixture of aniline and a perchromate give rise to an explosive reaction as the temperature is increased.
Sodium peroxide or potassium peroxide is spontaneously flammable with aniline ...
Strong oxidizers, strong acids, toluene diisocyanate, alkalis.
Spontaneously explosive reactions occur with benzenediazonium -2-carboxylate, dibenzoyl peroxide, fluorine nitrate, nitrosyl perchlorate, red fuming nitric acid, peroxodisulfuric acid, and tetranitromethane. ... Forms heat- or shock-sensitive explosive mixtures with anilinium chloride (detonates at 240 deg C/7.6 bar), nitromethane, hydrogen peroxide, 1-chloro-2,3-epoxypropane, and peroxomonosulfuric acid. Reactions with perchloryl fluoride, perchloric acid, and ozone form explosive products.
【Other Preventative Measures】
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emmissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
... ANILINE SHOULD BE REACTED IN CLOSED VESSELS AS FAR AS POSSIBLE. IN FACTORIES VENTILATION SHOULD BE SUFFICIENT TO KEEP ATMOSPHERIC ANILINE CONTENT WELL BELOW PERMITTED LEVEL.
Eating and smoking should not be allowed in areas where liquid aniline is handled, processed, or stored.
Clothing which becomes soaked with aniline should be promptly removed.
Since aniline is rapidly absorbed by the skin, in the case of contact it should be washed for a long time with soap & tepid water. When eyes are attacked by poison copious irrigation with water is immediately necessary ...
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed or replaced.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water source and sewers. build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors. /Aniline hydrochloride/
Personnel protection: Avoid breathing dusts, and fumes from burning material. Keep upwind. ... Avoid bodily contact with the material. Do not handle broken packages unless wearing appropriate personal protective equipment. ... /Aniline hydrochloride/
PRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... Clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Vertical laminar-flow biological safety cabinets may be used for containment of in vitro procedures ... provided that the exhaust air flow is sufficient to provide an inward air flow at the face opening of the cabinet, & contaminated air plenums that are under positive pressure are leak-tight. Horizontal laminar-flow hoods or safety cabinets, where filtered air is blown across the working area towards the operator, should never be used ... Each cabinet or fume cupboard to be used ... should be tested before work is begun (eg, with fume bomb) & label fixed to it, giving date of test & avg air-flow measured. This test should be repeated periodically & after any structural changes. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Principles that apply to chem or biochem lab also apply to microbiological & cell-culture labs ... Special consideration should be given to route of admin. ... Safest method of administering volatile carcinogen is by injection of a soln. Admin by topical application, gavage, or intratracheal instillation should be performed under hood. If chem will be exhaled, animals should be kept under hood during this period. Inhalation exposure requires special equipment. ... Unless specifically required, routes of admin other than in the diet should be used. Mixing of carcinogen in diet should be carried out in sealed mixers under fume hood, from which the exhaust is fitted with an efficient particulate filter. Techniques for cleaning mixer & hood should be devised before expt begun. When mixing diets, special protective clothing &, possibly, respirators may be required. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": When ... admin in diet or applied to skin, animals should be kept in cages with solid bottoms & sides & fitted with a filter top. When volatile carcinogens are given, filter tops should not be used. Cages which have been used to house animals that received carcinogens should be decontaminated. Cage-cleaning facilities should be installed in area in which carcinogens are being used, to avoid moving of ... contaminated /cages/. It is difficult to ensure that cages are decontaminated, & monitoring methods are necessary. Situations may exist in which the use of disposable cages should be recommended, depending on type & amt of carcinogen & efficiency with which it can be removed. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": To eliminate risk that ... contamination in lab could build up during conduct of expt, periodic checks should be carried out on lab atmospheres, surfaces, such as walls, floors & benches, & ... interior of fume hoods & airducts. As well as regular monitoring, check must be carried out after cleaning-up of spillage. Sensitive methods are required when testing lab atmospheres. ... Methods ... should ... where possible, be simple & sensitive. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Rooms in which obvious contamination has occurred, such as spillage, should be decontaminated by lab personnel engaged in expt. Design of expt should ... avoid contamination of permanent equipment. ... Procedures should ensure that maintenance workers are not exposed to carcinogens. ... Particular care should be taken to avoid contamination of drains or ventilation ducts. In cleaning labs, procedures should be used which do not produce aerosols or dispersal of dust, ie, wet mop or vacuum cleaner equipped with high-efficiency particulate filter on exhaust, which are avail commercially, should be used. Sweeping, brushing & use of dry dusters or mops should be prohibited. Grossly contaminated cleaning materials should not be re-used ... If gowns or towels are contaminated, they should not be sent to laundry, but ... decontaminated or burnt, to avoid any hazard to laundry personnel. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Doors leading into areas where carcinogens are used ... should be marked distinctively with appropriate labels. Access ... limited to persons involved in expt. ... A prominently displayed notice should give the name of the Scientific Investigator or other person who can advise in an emergency & who can inform others (such as firemen) on the handling of carcinogenic substances. /Chemical Carcinogens/
【Protective Equipment and Clothing】
POSSIBLE EXPOSURE TO HIGHER CONCN (PIPE BREAKAGE, SPLASHING, CLEANING OR REPAIR OF STORAGE TAMKS) NECESSITATES USE OF SAFETY GOGGLES, GAS MASK, APRON, & RUBBER GLOVES.
RESPIRATOR FOR ORGANIC VAPORS, SPLASHPROOF GOGGLES ... & BOOTS.
Respiratory protection from aniline is as follows: vapor concentration of 100 ppm or less: a chemical cartridge respirator with a full facepiece and an organic vapor cartridge(s) or a gas mask with a chin-style front or back-mounted organic vapor canister or any supplied-air respirator with a full facepiece, helmet or hood, or any self-contained breathing apparatus with a full facepiece; greater than 100 ppm or entry and escape from unknown concentrations: self-contained breathing apparatus with a full facepiece operated in pressure demand or other positive pressure mode or a combination respirator which includes a type C supplied-air respirator with a full facepiece operated in pressure-demand or other positive pressure or continuous-flow mode and an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode; escape: any gas mask providing protection against organic vapors or any self-contained breathing apparatus.
Butyl rubber protective clothing ...
For aniline, breakthrough times greater than one hour reported by (normally) two more testers for butyl rubber; For aniline, breakthrough times greater than one hour reported by (normally) two or more testers for natural rubber; For aniline, breakthrough times greater than one hour reported by (normally) two or more testers for neoprene; For aniline, breakthrough times greater than one hour reported by (normally) two or more testers for nitrile rubber; For aniline, there is some data suggesting breakthrough times of approximately an hour or more for polyvinyl alcohol; For aniline, breakthrough times less (usually significantly less) than one hour reported by (normally) two or more testers for polyvinyl chloride.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.]
Recommendations for respirator selection. Condition: At concentrations above the NIOSH REL, or where there is no REL, at any detectable concentration. Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive pressure mode. Any supplied-air respirator that has a full face piece and is operated in pressure-demand or other positive pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any appropriate escape-type, self-contained breathing apparatus.
PRECAUTIONS FOR "CARCINOGENS": ... Dispensers of liq detergent /should be available./ ... Safety pipettes should be used for all pipetting. ... In animal laboratory, personnel should ... wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. ... Gowns ... /should be/ of distinctive color, this is a reminder that they are not to be worn outside the laboratory. /Chemical Carcinogens/
【Specification】

The Aniline, with the cas registry number 62-53-3, is a kind of colourless oily liquid with strong odour. This chemical is slightly soluble in water and is completely soluble with ethanol. ethly ether, and chloroform. Besides, being sensitive to light, it is stable chemically but incompatible with oxidizing agents, bases, acids, iron and iron salts, zinc, aluminium.

The followings are the product categories of this chemical: Industrial/Fine Chemicals; Aniline; ACS GradeNitrogen Compounds; C2 to C6; Essential Chemicals; Routine Reagents; A; A-BAlphabetic; Alpha Sort; AM to AQAnalytical Standards; Amines; Aromatics; AromaticsChemical Class; Chemical Class; Volatiles/ Semivolatiles; Alphabetic; AM to AQ; Pesticides&Metabolites; Reagent Plus; AM to AQChemical Class; A-B, Puriss p.a.Nitrogen Compounds; Analytical Reagents for General Use; Puriss p.a.

The physical properties of this chemical are as follows: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 3.03; (7)ACD/KOC (pH 5.5): 68.18; (8)ACD/KOC (pH 7.4): 76.85; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 30.48 cm3; (15)Molar Volume: 91.7 cm3; (16)Polarizability: 12.08 ×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.015 g/cm3; (19)Flash Point: 70 °C; (20)Enthalpy of Vaporization: 42.44 kJ/mol; (21)Boiling Point: 184.4 °C at 760 mmHg; (22)Vapour Pressure: 0.733 mmHg at 25°C; (23)Exact Mass: 93.057849; (24)MonoIsotopic Mass: 93.057849; (25)Topological Polar Surface Area: 26; (26)Heavy Atom Count: 7; (27)Formal Charge: 0; (28)Complexity: 46.1.

Production method of this chemical: phenylmagnesium bromide could react to produce aniline, with the following condition: reagent: O-(diphenylphosphinyl)hydroxylamine; solvent: tetrahydrofuran; reaction tem.: -78 °C; yield: 67%.

Use of this chemical: Aniline could react with 2-methyl-[1,4]benzoquinone to produce 2-anilino-5-methyl-[1,4]benzoquinone and 2-anilino-6-methyl-[1,4]benzoquinone, with the following condition: solvent: ethanol; reaction temp.: 98 hours; other condition: Ambient temperature.

As to its usage, it is widely applied in many ways. It could be used as the intermediate of dye industry, the main material in pharmaceutics, rubber accelerator, antiager, and also could produce spice, varnish and explosives; It could also be used as the important material of producing pesticides; Then it is usually used as the analysis reagent.

When you are dealing with this kind of chemical, you should be much more careful. For one thing, it is toxic which may at low levels cause damage to health. This chemical may have risk of serious damage to the eyes and may cause sensitization by skin contact. And if by inhalation, in contact with skin, if swallowed or by prolonged exposure, you will have danger damage to health. Besides, it will have limited evidence of a carcinogenic effect and have possible risk of irreversible effects. For anther thing, it is dangerous for the environment which may present an immediate or delayed danger to one or more components of the environment. In addition, it is highly flammable and may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.?

Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.); If swallowed, seek medical advice immediately and show this container or label. In addition, you should avoid releasing to the environment, and you also could refer to special instructions / safety data sheets.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N
(2)InChI: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
(3)InChIKey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 562mg/kg (562mg/kg) ? Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
?
cat LCLo inhalation 180ppm/8H (180ppm) ? U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 4, 1941.
cat LD50 skin 254mg/kg (254mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
cat LDLo oral 100mg/kg (100mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1301, 1935.
cat LDLo subcutaneous 100mg/kg (100mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1301, 1935.
child TDLo oral 3125mg/kg (3125mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 357, 1988.
?
dog LD50 oral 195mg/kg (195mg/kg) ? National Technical Information Service. Vol. PB214-270,
dog LDLo intravenous 200mg/kg (200mg/kg) ? National Technical Information Service. Vol. PB214-270,
dog LDLo skin 1540mg/kg (1540mg/kg) ? National Technical Information Service. Vol. PB214-270,
guinea pig LD50 intraperitoneal 100mg/kg (100mg/kg) ? Office of Toxic Substances Report. Vol. OTS,
guinea pig LD50 oral 400mg/kg (400mg/kg) ? Office of Toxic Substances Report. Vol. OTS,
guinea pig LD50 skin 1290mg/kg (1290mg/kg) ? Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.
?
mammal (species unspecified) LC50 inhalation 2500mg/m3 (2500mg/m3) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
man LDLo unreported 150mg/kg (150mg/kg) ? "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man LDLo unreported 350mg/kg (350mg/kg) ? Journal of Industrial Hygiene. Vol. 13, Pg. 87, 1931.
mouse LC50 inhalation 175ppm/7H (175ppm) ? National Technical Information Service. Vol. PB214-270,
mouse LD50 intraperitoneal 492mg/kg (492mg/kg) ? Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. Vol. 3, Pg. 91, 1965.
mouse LD50 oral 464mg/kg (464mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
mouse LD50 subcutaneous 200mg/kg (200mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 107, 1958.
?
quail LD50 oral 750mg/kg (750mg/kg) ? Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
?
rabbit LD50 intravenous 64mg/kg (64mg/kg) ? National Technical Information Service. Vol. PB214-270,
rabbit LD50 skin 820uL/kg (0.82mL/kg) ? Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.
?
rabbit LDLo oral 500mg/kg (500mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1301, 1935.
rabbit LDLo subcutaneous 1gm/kg (1000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Medicina del Lavoro. Industrial Medicine. Vol. 28, Pg. 112, 1937.
rat LCLo inhalation 250ppm/4H (250ppm) ? Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
?
rat LD50 intraperitoneal 420mg/kg (420mg/kg) ? Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 15, Pg. 447, 1957.
?
rat LD50 oral 250mg/kg (250mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.
rat LD50 skin 1400mg/kg (1400mg/kg) ? Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 15, Pg. 447, 1957.
?

【Octanol/Water Partition Coefficient】
Log Kow= 0.90
【Disposal Methods】
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U012, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
/SRP: LABORATORY QUANTITIES/ Small amounts, react with hydrochloric acid, dissolve in water and flush to sewer in great dilution. (Peer-review conclusions of an IRPTC expert consultation (May 1985))
A good candidate for liquid injection incineration at a temperature range of 650 to 1,600 deg C and a residence time of 0.1 to 2 seconds. A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids.
Chemical Treatability of Aniline; Concentration Process: Biological Treatment; Chemical Classification: Amines; Scale of Study: Unknown; Type of Wastewater Used: Pure compound (one solute in a solvent); Results of Study: 94.5% reduction based on chemical oxygen demand; rate of biodegradation 19 mg. Chemical oxygen demand/g hr; (Activated sludge).
Chemical Treatability of Aniline; Concentration Process: Biological treatment; Chemical Classification: Amines; Scale of Study: Unknown; Type of Wastewater Used: Industrial Wastewater; Results of Study: 100% reduction in 15 hr; (Biodegradation by mutant Pseudomonas).
Chemical Treatability of Aniline; Concentration Process: Reverse osmosis; Chemical Classification: Amines; Scale of Study: Batch flow; Type of Wastewater Used: Pure compound (one solute in a solvent); Results of Study: 3.4% reduction with CA membrane; 82.9% reduction with C-PEI membrane; (CA and C-PEI membranes operated at 600 psig and room temperature).
Chemical Treatability of Aniline; Concentration Process: Reverse Osmosis; Chemical Classification: Amines; Scale of Study: Laboratory Scale; Type of Wastewater Used: Pure compound (one solute in a solvent); Results of Study: 80-100% reduction with NS-100-7 membrane; 60-80% reduction with B-10, NS-200 and NS-100 membranes; 40-60% reduction with B-9 membrane; 20-40% reduction with AP, CA3, and CAB membranes;
Chemical Treatability of Aniline; Concentration Process: Activated Carbons; Chemical Classification: Amines; Scale of Study: Batch flow, Laboratory scale; Type of Wastewater Used: Pure compound (one solute in a solvent); Results of Study: 100% reduction; No desorption from carbon by elutriation with solvents; (Filtrasorb 300 used. Solvents included pentane-acetone, diethyl ether, methylene, chloride-acetone, methyl chloride-acetone, and acetone).
Chemical Treatability of Aniline; Concentration Process: Activated Carbons; Chemical Classification: Amines; Scale of Study: Isotherm Test; Type of Wastewater Used: Pure compound (one solute in a solvent); Results of Study: 74.9% removal; 251 ppm final concn, 0.15 g/g carbon capacity; (Filtrasorb 300 used. Solvents included pentaner acetone, diethyl ether, methylene chloride-acetone, methyl chloride-acetone, and acetone).
Chemical Treatability of Aniline; Concentration Process: Resin adsorption; Chemical Classification: Amines; Scale of Study: Batch flow, Laboratory scale; Type of Wastewater Used: Pure compound (one solute in a solvent); Result of Study: Complete removal; no desorption from resin by elutriation with solvent; (Resin was Amberlite XAD-2. Resin found to be more effective than carbon for phthalate esters, most aromatics, and pesticides; carbon was more effective for alkanes; not as effective for acidic compounds).
PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first-stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic-solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": HEPA (high-efficiency particulate arrestor) filters ... can be disposed of by incineration. For spent charcoal filters, the adsorbed material can be stripped off at high temp & carcinogenic wastes generated by this treatment conducted to & burned in an incinerator. ... LIQUID WASTE: ... Disposal should be carried out by incineration at temp that ... ensure complete combustion. SOLID WASTE: Carcasses of lab animals, cage litter & misc solid wastes ... should be disposed of by incineration at temp high enough to ensure destruction of chem carcinogens or their metabolites. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Small quantities of ... some carcinogens can be destroyed using chem reactions ... but no general rules can be given. ... As a general technique ... treatment with sodium dichromate in strong sulfuric acid can be used. The time necessary for destruction ... is seldom known ... but 1-2 days is generally considered sufficient when freshly prepd reagent is used. ... Carcinogens that are easily oxidizable can be destroyed with milder oxidative agents, such as saturated soln of potassium permanganate in acetone, which appears to be a suitable agent for destruction of hydrazines or of compounds containing isolated carbon-carbon double bonds. Concn or 50% aqueous sodium hypochlorite can also be used as an oxidizing agent. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Carcinogens that are alkylating, arylating or acylating agents per se can be destroyed by reaction with appropriate nucleophiles, such as water, hydroxyl ions, ammonia, thiols & thiosulfate. The reactivity of various alkylating agents varies greatly ... & is also influenced by sol of agent in the reaction medium. To facilitate the complete reaction, it is suggested that the agents be dissolved in ethanol or similar solvents. ... No method should be applied ... until it has been thoroughly tested for its effectiveness & safety on material to be inactivated. For example, in case of destruction of alkylating agents, it is possible to detect residual compounds by reaction with 4(4-nitrobenzyl)-pyridine. /Chemical Carcinogens/

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Derivation: By (1) catalytic vapor phase reduction of nitrobenzene with hydrogen; (2) reduction of nitrobenzene with iron filings using hydrochloric acid as catalyst; (3) catalytic reaction of chlorobenzene and aqueous ammonia; (4) ammonolysis of phenol (Japan).
U.S. Exports

(1980) 9.1X10+9 G (EST)
(1998) 3.5 million lbs
U.S. Imports

(1977) 5.71X10+7 G
(1982) 7.31X10+7 G
(1985) 5.15X10+7 g
(1998) 45 million lbs
U.S. Production

(1977) 2.65X10+11 G
(1982) 2.53X10+11 G
(1983) 3.01x10+11 G
(1985) 3.25X10+11 g
(1986) 3.45X10+11 g /estimated/
(1987) 9.23X10+8 lb
4.49509X10+8 kg in 1993
Consumption Patterns

CHEM INT FOR METHYLENEDIISOCYANATE, 59%; CHEM INT FOR RUBBER CHEMS, 24%; CHEM INT FOR DYES & PIGMENTS, 4%; CHEM INT FOR HYDROQUINONE, 3%; OTHER USES, 10% (1980)
Isocyanates, 60%; rubber chem, 20%; agricultural (pesticides), 8%; dyes & pigments, 4%; misc, 8% (1985)
CHEMICAL PROFILE: Aniline. Polymeric and "pure" MDI (p,p-methylene diphenyl di-isocyanate), 65%; rubber-processing chemicals, 13%; herbicides, 7%; dyes and pigments, 3%; fibers, 2%; export, 4%; miscellaneous, including pharmaceuticals and photo chemicals 6%.
CHEMICAL PROFILE: Aniline. Demand: 1986: 830 million lb; 1987: 870 million lb; 1991 /projected/: 1.010 million lb.
Demand: 1997, 1.34 billion lbs; 1998, 1.5 billion lbs; 2002 (projected), 1.9 billion lbs. MDI, 80%; rubber processing, 11%; herbicides, 3%; dyes and pigments, 3%; specialty fibers, 2%; miscellaneous, 1%.
【Sampling Procedures】
Matrix: air; Analyte: aniline; Sampler: solid sorbent tube (silica gel, 150 mg/75 mg); Sample stability: about 7 days; Range: 9.5-38.2 mg/cu m
Extraction efficiencies of the anilines /aniline and its substituted derivatives/ were determined in reagent water buffered at pH 5 (0.01 M acetate buffer), pH 7 (0.01 M phosphate buffer), and pH 11 (0.01 M phosphate buffer). Methanol solutions of the cmpd were spiked into one-liter volumes of the buffered media in a separatory funnel at the 10 ug/l level. Three successive extractions with 60 ml volumes of methylene chloride were performed using two-minute extraction periods. The extracts were combined and concentrated.
The sample is passed through a tube the inner surface of which is coated with a sorbent. Vapor phase molecules are trapped within the sorbent more quickly than are aerosolized particulates. Different sorbents were utilized in the construction of samplers for different materials. An example collection device designed for aromatic amines consisted of a first stage glass tube coated with acidified silica gel on the inner walls. The second stage consisted of an acid coated glass fiber filter. This device functions by trapping the amines on both stages by conversion of nonvolatile salts. The vapor collection efficiency of the sampler was demonstrated using test atmospheres of aniline vapor. The aerosol collection efficiency was then determined by passing test atmospheres of iron oxide fume through the sampler.
A cryogenic sampler for aniline vapors was evaluated by collecting samples of 10 ppm aniline in air and directly analyzing the collected aniline by liquid chromatography with electrochemical detection. The cryogenic sampler achieved nearly 100% collection and recovery efficiency, with a detection limit of (r) for a sample collected at 10 cu cm/min for 40 seconds in a 200 ul strainless steel loop at -10 deg C. About 5 min was necessary to dissolve the trapped aniline into 200 ul of a mobile phase desorbing solution at 20 deg C.
A representative sample is collected in a glass container equipped with a Teflon-lined cap. Care is taken to avoid sample contact with any plastic.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
【Biomedical Effects and Toxicity】
ANILINE IS READILY ABSORBED FROM SKIN & GI TRACT ...
(14)C-ANILINE ADMIN TO RABBITS IS MOSTLY EXCRETED IN URINE (80% OF DOSE) AS CONJUGATES OF P-AMINOPHENOL (55%), O-AMINOPHENOL (10%), & M-AMINOPHENOL (0.1%), & AS ANILINE (3.5%), ANILINE-N-GLUCURONIDE (6%), PHENYLSULFAMIC ACID (8%), & ACETANILIDE (0.2%). ONLY TRACES OF THE METABOLITES (1%) ARE EXCRETED IN FECES, & NO ANILINE IS EXCRETED IN THE EXPIRED AIR. ... ADMIN OF HIGH DOSE LEVELS OF ANILINE (> 1% G/KG) TO RABBITS RESULTS IN THE EXCRETION OF FREE GLUCURONIC ACID IN THE URINE.
BILIARY EXCRETION (% OF DOSE EXCRETED IN 3 HR) OF ANILINE IN: RAT 5.7%, GUINEA PIG 5.6%, RABBIT 2.6%, DOG 2.7%, CAT 0.3%, HEN 1.6%. /FROM TABLE; DOSE NOT GIVEN/
... 0.1 ML OF DRUG SOLN WAS ADMIN TO ANESTHETIZED RATS THROUGH TRACHEAL CANNULA. AFTER VARIOUS TIMES, THE LUNG & TRACHEA WERE REMOVED & ASSAYED FOR REMAINING DRUG. ALTHOUGH LIPID INSOL SUBSTANCES ... WERE ABSORBED FAIRLY READILY, MUCH MORE RAPID RATES OF ABSORPTION WERE SEEN WITH LIPID SOL CMPD SUCH AS ANILINE ...
... IN RAT ... ANILINE AND A NUMBER OF SULFONAMIDES ARE ABSORBED BY SIMPLE DIFFUSION /FROM RECTUM/ @ RATES RELATED TO DEGREE OF IONIZATION & LIPID-TO-WATER PARTITION COEFFICIENT OF CMPD.
ANILINE CROSSES PLACENTAL BARRIER ...
THERE WAS NO SIGNIFICANT DIFFERENCE BETWEEN THE MEAN RATE OF SKIN ABSORPTION IN MAN OF LIQ AQ ANILINE (3.0 MG/SQ CM/HR) & THAT WITH 3% CONTENT OF WATER (2.5 MG/SQ CM/HR). TIME OF EXPOSURE WAS 30 OR 60 MIN. [BARANOWSKA-DUTKIEWICZ B; TOXICOL LETT 10 (4): 367-72 (1982)] PubMed Abstract

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
The effects of low temperature and accelerated soil soln contact on soil adsorption of labile organic chemicals were investigated in lab experiments. Kinetics of adsorption and degradation were measured for (14)C labeled aniline, benzoic acid, phenol, and diuron in the soln phase at 3 and 22 deg C. In the initial stages of reaction, the adsorption of all 4 chemicals was instantaneous at both temperatures under accelerated soil and soln mixing. A steady state was observed after the onset of equilibrium for the adsorption reaction for all cmpd within 10-30 min. Its length varied according to the expected order of susceptibilty to microbial degradation, ie, diuron > aniline > phenol greater than or equal to benzoate. The steady state period without or in combination with low temperature could be used to obtain adsorption measurements in microbially active systems. Minimal interference from solute transformations in the soln phase would be expected from soil microoganisms.
TERRESTRIAL FATE: Based on a classification scheme(1), Koc values in the range of 43.8-497.7 in 5 European soils(2), indicates that aniline is expected to have high to moderate mobility in soil(SRC). Volatilization of aniline from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 2.02X10-6 atm-cu m/mole(3). Aniline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.49 mm Hg(4). Aniline was completely degraded by a soil inoculum in 4 days(5).
AQUATIC FATE: Based on a classification scheme(1), Koc values of 43.8-497.7(2), indicate that aniline may adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 2.02X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 12 and 131 days, respectively(SRC). A pKa value of 4.6(5), suggests that aniline will partially exist in the protonated form in aqueous environments and the protonated form of aniline is not expected to volatilize from water. According to a classification scheme(6), BCF values of less than 10 in three species of fish(7-9) suggest bioconcentration in aquatic organisms is low. Aniline was biodegraded approximately 100% in upper surface water from the Naka River and approximately 70% in lower reaches over a 7 day incubation period(10). Aniline was 40-60% degraded in seawater at 30 deg C over a 1 day incubation period(11). When aniline in water was irradiated with sunlight, 19.3% degradation occurred in 5 hrs(11), suggesting that photolysis may occur in sunlit surface waters.
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), aniline, which has a vapor pressure of 0.49 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase aniline is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals, nitrate radical and ozone molecules(SRC). The half-life for reaction with hydroxyl radicals is estimated to be 4 hours(SRC), calculated from its rate constant of 1.1X10-10 cu cm/molecule-sec at 25 deg C(3). The half-life for reaction with nitrate radicals is estimated to be 223 days(SRC), calculated from its rate constant of 1.5X10-16 cu cm/molecule-sec at 25 deg C(3). The half-life for reaction with ozone is estimated to be 10 days(SRC), calculated from its rate constant of 1.1X10-18 cu cm/molecule-sec at 25 deg C(3). Aniline has a strong UV band at 285 nm which extends beyond 290 nm(4), therefore, it may undergo photolysis(SRC).

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