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Home> Hot Product Listed 3   > 3,4-Dichloroaniline

3,4-Dichloroaniline

CAS No.:95-76-1
EINECS(EC#):202-448-4
Molecular Weight:162.02
Molecular Formula:C6H5Cl2N (Products with the same molecular formula)
MOL File:95-76-1.mol
Names and Identifiers
Synonyms

3,4-Dichloro-4-benzenamineDCA alpha,3,4-Trichlorotoluene 3,4-Dichlorobenzyl chloride 3,4-DCA 3,4-Dichlorobenzenamine3,4-Dichloroaniline

Inchi
InChI=1/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChkey
SDYWXFYBZPNOFX-UHFFFAOYSA-N
Properties
Appearance
White to pale yellow crystal
Density
1.401 g/cm3
Melting Point
69-73℃
Boiling Point
272℃
Refractive Index
1.613
Flash Point
166℃
Water
0.06 g/100 mL
Solubilities
0.06 g/100 mL
Color/Form
NEEDLES FROM PETROLEUM ETHER
LIGHT BROWN CRYSTALS /DICHLOROANILINES/
Stability
Stable, but darkens in storage. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.
HS Code
29214210
Storage temp
0-6°C
Spectral properties
IR: 6459 (Sadtler Research Laboratories Prism Collection)
UV: 1794 (Sadtler Research Laboratories Spectral Collection)
MASS: 1025 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
NMR: 271 (Sadtler Research Laboratories Spectral Collection)
Safety and Handling
Hazard Codes
T:Toxic
Risk Statements
R23/24/25;R41;R43;R50/53
Safety Statements
S26;S36/37/39;S45;S60;S61
HazardClass
6.1
PackingGroup
II
Skin, Eye, and Respiratory Irritations
A severe eye and skin irritant.
Transport
UN 3442 6.1/PG 2
Fire Fighting Procedures
USE WATER SPRAY, DRY CHEMICAL, FOAM, OR CARBON DIOXIDE. WATER OR FOAM MAY CAUSE FROTHING. USE WATER SPRAY TO KEEP FIRE-EXPOSED CONTAINERS COOL. APPROACH FIRE FROM UPWIND TO AVOID HAZARDOUS VAPORS AND TOXIC DECOMPOSITION PRODUCTS. /DICHLOROANILINES/
If material on fire or involved in fire: Use dry chemical or carbon dioxide. Cool all affected containers with flooding quantities of water. use water in flooding quantities as fog. /Dichloroaniline/
Personnel protection: ... Wear positive pressure self-contained breathing apparatus when fighting fires involving this material. /Dichloroaniline/
Fire Potential
COMBUSTIBLE SOLID /DICHLOROANILINES/
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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/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. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. 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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/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. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
Other Preventative Measures
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. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
... 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. /ANILINE/
Eating and smoking should not be allowed in areas where liquid aniline is handled, processed, or stored. /Aniline/
Clothing which becomes soaked with aniline should be promptly removed. /Aniline/
In the case of /skin/ contact it should be washed for a long time with soap & tepid water. When eyes are /exposed to aniline/ copious irrigation with water is immediately necessary. ... /Aniline/
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.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. /Dichloroaniline/
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. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Dichloroaniline/
Protective Equipment and Clothing
Wear special protective clothing and positive pressure self-contained breathing apparatus. /Dichloroanilines/
POSSIBLE EXPOSURE TO HIGHER CONCN (PIPE BREAKAGE, SPLASHING, CLEANING OR REPAIR OF STORAGE TANKS) NECESSITATES USE OF SAFETY GOGGLES, GAS MASK, APRON, & RUBBER GLOVES. /ANILINE/
RESPIRATOR FOR ORGANIC VAPORS, SPLASHPROOF GOGGLES ... /&/ BOOTS. /ANILINE/
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. /Aniline/
Butyl rubber protective clothing. ... /Aniline/
Specification

The 3,4-Dichloroaniline, with the cas registry number 95-76-1, is a kind of brown raphide crystals. This chemical is nearly insoluble in water while easily soluble lin ethanol, ethyl ether, and slightly soluble in benzene. Besides, it is combustible, and is incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.

Its product categories are various, including intermediates of dyes and pigments; anilines, aromatic amines and nitro compounds; organics; c2 to c6; nitrogen compounds; dia - dicmethod specific; 2000/60/ec; alpha sort; amines; aromaticspesticides&metabolites; chemical class; d; dalphabetic; european community: ISO and DIN.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 47.33; (5)ACD/BCF (pH 7.4): 47.44; (6)ACD/KOC (pH 5.5): 549.97; (7)ACD/KOC (pH 7.4): 551.34; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.02 ; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 40.27 cm3; (14)Molar Volume: 115.6 cm3; (15)Polarizability: 15.96 ×10-24 cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.401 g/cm3; (18)Flash Point: 118.2 °C; (19)Enthalpy of Vaporization: 51.01 kJ/mol; (20)Boiling Point: 271.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0063 mmHg at 25°C; (22)Exact Mass: 160.979905; (23)MonoIsotopic Mass: 160.979905; (24)Topological Polar Surface Area: 26; (25)Heavy Atom Count: 9; (26)Complexity: 97.1.

The production method is as below: 1,2-dichloro-4-nitro-benzene could react to produce? 3,4-Dichloroaniline, with the following condition: reagent: NaHS/Al2O3; reation time: 4 min; yield: 80%; other condition: microwave irradiation.

Use of 3,4-Dichloroaniline is as below: chloroacetyl chloride could react with 3,4-Dichloroaniline to produce chloro-acetic acid-(3,4-dichloro-anilide), with the following condition: reagent:benzene.

As to its usage, it is widely applied in many ways. It could be used in the intermediate in pharmaceutics, pesticide, and dye. If used in pesticide, it could be the intermediate for propanil, diuron, linuron, swep and so on. And it could also be used as the intermediate for bioactivity.

When dealing with this chemical, you should be cautious and then take some measures to protect yourself. For one thing, this chemical is toxic. It may at low levels cause damage to health, and if by inhalation, in contact with skin and if swallowed, it will bring damage to our health. Besides, it may cause sensitisation by skin contact, and it also has risk of serious damage to eyes. For another thing, it is dangerous for the environment. It may present an immediate or delayed danger to one or more components of the environment; And being toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment.

Therefore, you should take the following instructions while using. 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 where possible); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). While keep it, this material and its container must be disposed of as hazardous waste , and then avoid releasing to the environment, with refering to special instructions/safety data sheet.

Additionally, the following data information could be converted into the molecular structure:
SMILES: Nc1cc(Cl)c(Cl)cc1

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 237mg/kg (237mg/kg) ? Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
?
cat LD50 skin 700mg/kg (700mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
guinea pig LD50 oral 675mg/kg (675mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
mouse LD50 intraperitoneal 310mg/kg (310mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
mouse LD50 oral 740mg/kg (740mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
rabbit LD50 oral 675mg/kg (675mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
rabbit LDLo skin 300mg/kg (300mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0571586,
rat LCLo inhalation 65mg/m3/4H (65mg/m3) ? Office of Toxic Substances Report. Vol. OTS,
rat LD50 intraperitoneal 280mg/kg (280mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
rat LD50 oral 545mg/kg (545mg/kg) ? Office of Toxic Substances Report. Vol. OTS,

?

Octanol/Water Partition Coefficient
log Kow= 2.69
Report

The 3,4-Dichloroaniline, with the cas registry number 95-76-1, is a kind of brown raphide crystals. This chemical is nearly insoluble in water while easily soluble lin ethanol, ethyl ether, and slightly soluble in benzene. Besides, it is combustible, and is incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.

Its product categories are various, including intermediates of dyes and pigments; anilines, aromatic amines and nitro compounds; organics; c2 to c6; nitrogen compounds; dia - dicmethod specific; 2000/60/ec; alpha sort; amines; aromaticspesticides&metabolites; chemical class; d; dalphabetic; european community: ISO and DIN.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 47.33; (5)ACD/BCF (pH 7.4): 47.44; (6)ACD/KOC (pH 5.5): 549.97; (7)ACD/KOC (pH 7.4): 551.34; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.02 ; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 40.27 cm3; (14)Molar Volume: 115.6 cm3; (15)Polarizability: 15.96 ×10-24 cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.401 g/cm3; (18)Flash Point: 118.2 °C; (19)Enthalpy of Vaporization: 51.01 kJ/mol; (20)Boiling Point: 271.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0063 mmHg at 25°C; (22)Exact Mass: 160.979905; (23)MonoIsotopic Mass: 160.979905; (24)Topological Polar Surface Area: 26; (25)Heavy Atom Count: 9; (26)Complexity: 97.1.

The production method is as below: 1,2-dichloro-4-nitro-benzene could react to produce? 3,4-Dichloroaniline, with the following condition: reagent: NaHS/Al2O3; reation time: 4 min; yield: 80%; other condition: microwave irradiation.

Use of 3,4-Dichloroaniline is as below: chloroacetyl chloride could react with 3,4-Dichloroaniline to produce chloro-acetic acid-(3,4-dichloro-anilide), with the following condition: reagent:benzene.

As to its usage, it is widely applied in many ways. It could be used in the intermediate in pharmaceutics, pesticide, and dye. If used in pesticide, it could be the intermediate for propanil, diuron, linuron, swep and so on. And it could also be used as the intermediate for bioactivity.

When dealing with this chemical, you should be cautious and then take some measures to protect yourself. For one thing, this chemical is toxic. It may at low levels cause damage to health, and if by inhalation, in contact with skin and if swallowed, it will bring damage to our health. Besides, it may cause sensitisation by skin contact, and it also has risk of serious damage to eyes. For another thing, it is dangerous for the environment. It may present an immediate or delayed danger to one or more components of the environment; And being toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment.

Therefore, you should take the following instructions while using. 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 where possible); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). While keep it, this material and its container must be disposed of as hazardous waste , and then avoid releasing to the environment, with refering to special instructions/safety data sheet.

Additionally, the following data information could be converted into the molecular structure:
SMILES: Nc1cc(Cl)c(Cl)cc1

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 237mg/kg (237mg/kg) ? Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
?
cat LD50 skin 700mg/kg (700mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
guinea pig LD50 oral 675mg/kg (675mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
mouse LD50 intraperitoneal 310mg/kg (310mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
mouse LD50 oral 740mg/kg (740mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
rabbit LD50 oral 675mg/kg (675mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
rabbit LDLo skin 300mg/kg (300mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0571586,
rat LCLo inhalation 65mg/m3/4H (65mg/m3) ? Office of Toxic Substances Report. Vol. OTS,
rat LD50 intraperitoneal 280mg/kg (280mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
rat LD50 oral 545mg/kg (545mg/kg) ? Office of Toxic Substances Report. Vol. OTS,

?

Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Alchemie Europe Ltd 2012
KISCHEMICALS LLC 2012
Lanxess Deutschland GmbH 2014
more >
MSDS

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,4-Dichloroaniline

1.2 Other means of identification

Product number -
Other names 3,4-DICHLORO ANILINE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Serious eye damage, Category 1

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H318 Causes serious eye damage

H317 May cause an allergic skin reaction

H331 Toxic if inhaled

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
3,4-Dichloroaniline 3,4-Dichloroaniline 95-76-1 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and severe irritation of the eyes. It reduces the oxygen carrying capacity of the blood and causes shortness of breath by formation of methemoglobin It can cause an allergic skin reaction, rash, chloracne, cyanosis, weakness, tearing, and blurring of vision. Higher exposures can cause abnormal liver an kidney function. Skin permeation can lead to systemic toxicity. ACUTE/CHRONIC HAZARDS: This compound can cause skin irritation and severe eye irritation. When heated to decomposition it emits toxic fumes of chlorine and nitrogen oxides. Thermal decomposition may produce carbon monoxide, carbon dioxide and hydrogen chloride gas. It is highly toxic when absorbed through the skin, swallowed or when vapors from the heated material are inhaled.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Basic treatment: Establish patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aniline and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

USE WATER SPRAY, DRY CHEMICAL, FOAM, OR CARBON DIOXIDE. WATER OR FOAM MAY CAUSE FROTHING. USE WATER SPRAY TO KEEP FIRE-EXPOSED CONTAINERS COOL. APPROACH FIRE FROM UPWIND TO AVOID HAZARDOUS VAPORS AND TOXIC DECOMPOSITION PRODUCTS. /DICHLOROANILINES/

5.2 Specific hazards arising from the chemical

This chemical is combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: chemical protection suit including self-contained breathing apparatus. Remove all ignition sources. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from strong oxidants and food and feedstuffs. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.STORE IN A COOL, DRY, WELL-VENTILATED LOCATION. SEPARATE FROM ACIDS, OXIDIZING MATERIALS, & COMBUSTIBLES. /DICHLOROANILINES/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state White to pale yellow crystal
Colour NEEDLES FROM PETROLEUM ETHER
Odour no data available
Melting point/ freezing point 332\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 145\u00b0C/15mmHg(lit.)
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Heating will cause rise in pressure with risk of bursting.
Lower and upper explosion limit / flammability limit no data available
Flash point 68\u00b0C(lit.)
Auto-ignition temperature 265\u00b0C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 6.6173 Pa.s @ 344.65 K
Solubility In water:0.06 g/100 mL
Partition coefficient n-octanol/water (log value) log Kow= 2.69
Vapour pressure 1 mm Hg at 81.11\u00b0C
Density and/or relative density 1.401 g/cm3
Relative vapour density 5.59 (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

COMBUSTIBLE SOLID /DICHLOROANILINES/3,4-DICHLOROANILINE is incompatible with oxidizing agents, acids, acid chlorides and acid anhydrides. It can decompose at low pH. Hydrochloric acid accelerates decomposition. Reacts at temperatures above 180\u00b0C in the presence of ferric chloride .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

WHEN HEATED TO DECOMP ... THEY EVOLVE HIGHLY TOXIC /HYDROGEN/ CHLORIDE FUMES. SOME ORG CHLORIDES DECOMP TO YIELD PHOSGENE. /CHLORIDES/

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 648 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50 Pimephales promelas (fathead minnow) 34 days old 8.06 mg/l/96 hr (Confidence limit: 7.26-8.95 mg/l) at 25\u00b0C (98% purity) /Conditions of bioassay not specified
  • Toxicity to daphnia and other aquatic invertebrates: LC50 Daphnia magna 7.6x10-7 mol/l/96 hr at 20\u00b0C, 10% sea water /Conditions of bioassay not specified
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

3,4-DICHLOROANILINE (DCA), A BIODEGRADATION INTERMEDIATE OF SEVERAL HERBICIDES, IS MINERALIZED IN SOIL ONLY VERY SLOWLY. IN ENRICHMENT CULTURES, DCA FAILED TO SERVE AS THE SOLE SUBSTRATE, BUT ANALOG ENRICHMENT YIELDED A PSEUDOMONAS PUTIDA STRAIN THAT, IN PRESENCE OF UNCHLORINATED ANALOG SUBSTRATES, MINERALIZED DCA WITH RELEASE OF (14)CO2 AND CL-. MASS SPECTROMETRIC IDENTIFICATION OF THE KEY BIODEGRADATION INTERMEDIATES (3,4-DICHLOROMUCONATE, 3-CHLOROBUTENOLIDE AND 3-CHLOROLEVULINIC ACID) REVEALED THAT DCA BIODEGRADATION OCCURRED THROUGH 4,5-DICHLOROCATECHOL, 3,4-DICHLOROMUCONATE, 3-CHLOROBUTENOLIDE, 3-CHLOROMALEYLACETATE AND 3-CHLORO-4-KETADIPATE TO SUCCINATE PLUS ACETATE. THROUGH THE ABOVE PATHWAY, DCA WAS CONVERTED ULTIMATELY TO INORGANIC END PRODUCTS. THE SLOW MINERALIZATION OF DCA IN SOIL IS NOT ENTIRELY EXPLAINABLE BY THE INHERENT RECALCITRANCE OF THIS COMPOUND BUT IS EXPLAINABLE BY THE COMPETING POLYMERIZATION & BINDING REACTIONS THAT DECREASE ITS AVAILABILITY.

12.3 Bioaccumulative potential

Studies on the environmental hazards & fate of herbicides are reviewed. Herbicides do not accumulate by way of the trophic chains, except for diuron & 3,4-dichloroaniline, which accumulate in fish.

12.4 Mobility in soil

... UP TO 90% OF 3,4-DICHLORANILINE ... DERIVED FROM BIODEGRADATION OF PHENYLAMIDE HERBICIDES IS ADSORBED SO STRONGLY BY SOIL ORG MATTER THAT IT IS NOT EXTRACTABLE BY SOLVENTS. BOUND DCA IS SUSCEPTIBLE TO ACID & ALKALINE HYDROLYSIS.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN3442 IMDG: UN3442 IATA: UN3442

14.2 UN Proper Shipping Name

ADR/RID: DICHLOROANILINES, SOLID
IMDG: DICHLOROANILINES, SOLID
IATA: DICHLOROANILINES, SOLID

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
3,4-Dichloroaniline 3,4-Dichloroaniline 95-76-1 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:162.0166 [g/mol]
Molecular Formula:C6H5Cl2N
XLogP3:2.7
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:160.979905
MonoIsotopic Mass:160.979905
Topological Polar Surface Area:26
Heavy Atom Count:9
Formal Charge:0
Complexity:97.1
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