3D Mol Similar

Isopropylamine

: Iupac Name：propan-2-amine; CAS No.: 75-31-0; Molecular Weight：59.11026; Modify Date.: 2022-10-26 03:26; Introduction: Isopropylamine is used as a dehairing agentand as an intermediate in the preparation ofmany organics. View more+

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1. Names and Identifiers

: 1.1 Name; Isopropylamine; 1.2 Synonyms; 1-Methylethylamine 2-Amino-propaan 2-Aminopropane 2-AMINO-PROPANE 2-Propanamine 2-Propylamine Dimethylmethaneamine EINECS 200-860-9 iso-C3H7NH2 Isopropilamina isopropyl amine Isopropylamin iso-Propylamine gas isopropylamine(2-aminopropane) isopropylamine(non-specificname) isopropylaminemethylnaphthalenesulfonate MFCD00008082 MONOISOPROPYLAMINE nsc62775 propan-2-amine Propane, 2-amino- Propane,2-amino sec-Propylamine; View all

1.3 CAS No.: 75-31-0

1.4 CID: 6363

1.5 EINECS(EC#): 200-860-9

1.6 Molecular Formula: C3H9N (isomer)

1.7 Inchi: InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3

1.8 InChIkey: JJWLVOIRVHMVIS-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(C)N

1.10 Isomers Smiles: CC(C)N

2. Properties

2.1 Density: 0.69

2.1 Melting point: -101℃

2.1 Boiling point: 33-34℃

2.1 Refractive index: 1.3725-1.3755

2.1 Flash Point: -37℃

2.2 Precise Quality: 59.07350

2.2 PSA: 26.02000

2.2 logP: 1.05380

2.2 Solubility: 1000g/l

2.3 Viscosity: 0.47 mm2/s at 20 °C

2.4 VaporDensity: 2.04 (vs air)

2.5 Appearance: colourless liquid

2.6 Storage: Air Sensitive. Ambient temperatures.

2.7 Autoignition Temperature: 756 °F (USCG, 1999)

2.8 Chemical Properties: Isopropylamine is a colorless, flammable liquid. Isopropylamine is misciblewith water, alcohol, and ether.The odor threshold reportedly ranges from 0.21 to 0.70 ppm;the pungent, ammoniacal odor becomes irritating at 24mg/m3(110).

2.9 Color/Form: Colorless liquid [Note: A gas above 91 degrees F].

2.10 Decomposition: When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

2.11 Heat of Combustion: -16,940 Btu/lb, -9,240 cal/g, -394X10+5 J/kg

2.12 Heat of Vaporization: 28.36 kJ/mol at 25 °C

2.13 Ionization Potential: 8.72 eV

2.14 Odor: Ammonia odor

2.15 Odor Threshold: 0.504 mg/cu m (Odor low) 480 mg/cu m (Odor high)

2.16 PH: Strong base

2.17 pKa: 10.63(at 25℃)

2.18 Water Solubility: soluble

2.19 Spectral Properties: Index of refraction: 1.3742 at 20 deg C
IR: 3813 (Coblentz Society spectral collection)
NMR: 9118 (Sadtler Research Laboratories spectral collection)
MASS: 18968 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version)
RAMAN: 1053 (Sadtler Research Laboratories spectral collection)

2.20 Stability: Stable. Extremely flammable - note low boiling point and low flash point. Readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, perchloryl fluoride.

2.21 StorageTemp: 2-8°C

2.22 Surface Tension: 16.8 dynes/cm = 0.0168 N/m at 20 °C

3. Use and Manufacturing

3.1 Chemical Reactivity: Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

3.2 Definition: ChEBI: A member of the class of alkylamines that is propane carrying an amino group at position 2.

3.3 Environmental Fate: Photolytic. Low et al. (1991) reported that the photooxidation of aqueous primary aminesolutions by UV light in the presence of titanium dioxide resulted in the formation of ammoniumand nitrate ions.Chemical/Physical. Releases toxic nitrogen oxides when heated to decomposition (Sax andLewis, 1987). Forms water-soluble salts with acids.

3.4 Produe Method: Isopropylamine can be produced from the corresponding alcohol by reacting withammonia in the presence of a dehydrating catalyst, or from the chloride byreacting with ammonia under pressure. It is also reported that this amine can beproduced from acetone and ammonia or from the acetone oxime (HSDB 1989).

3.5 Usage: Isopropylamine is used as a dehairing agentand as an intermediate in the preparation ofmany organics.

4. Safety and Handling

4.1 Symbol: GHS02, GHS05, GHS06

4.1 Hazard Codes: Xi

4.1 Signal Word: Danger

4.1 Risk Statements: R12;R36/37/38

4.1 Safety Statements: S16;S26;S29

4.1 Packing Group: I

4.1 Octanol/Water Partition Coefficient: log Kow = 0.26

4.2 Other Preventative Measures: If isopropylamine contacts the skin, workers should flush the affected areas immediately with plenty of water, followed by washing with soap and water. Clothing contaminated with isopropylamine should be removed immediately, and provisions should be made for the safe removal of the chemical from the clothing. Persons laundering the clothes should be informed of the hazardous properties of isopropylamine, particularly its potential for causing dermal and respiratory irritation. A worker who handles isopropylamine should thoroughly wash hands, forearms, and face with soap and water before eating, using tobacco products, using toilet facilities, applying cosmetics, or taking medication. Workers should not eat, drink, use tobacco products, apply cosmetics, or take medication in areas where isopropylamine or a solution containing isopropylamine is handled, processed, or stored.
Any chemical-resistant clothing that is used should be periodically evaluated to determine its effectiveness in preventing dermal contact. Safety showers and eye wash stations should be located close to operations that involve isopropylamine.
Splash-proof chemical safety goggles or face shields (20 to 30 cm long, minimum) should be worn during any operation in which a solvent, caustic, or other toxic substance may be splashed into the eyes.
In addition to the possible need for wearing protective outer apparel (e.g., aprons, encapsulating suits), workers should wear work uniforms, coveralls, or similar full-body coverings that are laundered each day. Employers should provide lockers or other closed areas to store work and street clothing separately. Employers should collect work clothing at the end of each work shift and provide for its laundering. Laundry personnel should be informed about the potential hazards of handling contaminated clothing and instructed about measures to minimize their health risk.
Protective clothing should be kept free of oil and grease and should be inspected and maintained regularly to preserve its effectiveness.
Keep sparks, flames, and other sources of ignition away. Keep material out of water sources 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. Do not use water on material itself. Neutralize spilled material with crushed limestone, soda ash, or lime.
Avoid breathing vapors. 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.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions 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.
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.
SRP: Operations involving entry into tanks or closed vessels, and emergency situations, require consideration of potentially oxygen deficient, or "immediately dangerous to life and health" IDLH environments. This may necessitate use of a self-contained breathing apparatus (SCUBA), or a positive pressure supplied air respirator.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard (ie, for liquids with a flash point
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.; View all

4.3 Hazard Class: 3

4.3 Hazard Declaration: H224-H301 + H311 + H331-H314-H335

4.3 Cleanup Methods: SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.
In the event of a spill or leak involving isopropylamine, persons not wearing protective equipment and clothing should be restricted from contaminated areas until cleanup has been completed. The following steps should be undertaken following a spill or leak: 1. Notify safety personnel. 2. Remove all sources of heat and ignition. 3. Ventilate potentially explosive atmospheres. 4. Do not touch the spilled material; stop the leak if it is possible to do so without risk. 5. Use non-sparking tools. 6. Water spray may be used to reduce vapors, but the spray may not prevent ignition in closed spaces. 7. For small liquid spills, take up with sand or other noncombustible absorbent material and place into closed containers for later disposal. 8. For large liquid spills, build dikes far ahead of the spill to contain the isopropylamine for later reclamation or disposal.
Eliminate all ignition sources. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Absorb in noncombustible material for proper disposal.
Land spill: dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner. Use of PVC and some forms of plastic or rubber as liner should be avoided as chemical attacks them./ Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.
Water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses.
Air spill: Apply water spray or mist to knock down vapors.
The destruction of OPA isopropylamine/ from munitions demilitarization has been accomplished in supercritical water oxidation (SCWO) with oxygen as oxidant in an isothermal continuous-flow reactor. The experiments were conducted at a temperature of 689-887 deg K and a fixed pressure of 25 MPa, with a residence time that ranged from 7 sec to 14 sec. The destruction efficiency was measured by total organic carbon (TOC) conversion. At the reaction condition, the initial TOC concentrations of OPA were varied from 1.41 mmol/L to 19.57 mmol/L and the oxygen concentrations were varied from 15.03 mmol/L to 81.85 mmol/L. Experimental data showed that all the TOC conversions were > 80% under the above experimental conditions. /Isopropylamine and isopropyl alcohol mixture/ [Veriansyah B et al; J Environ Sci Health A Tox Hazard Subst Environ Eng 41(8):1559-68 (2006). Available from, as of September 4, 2009:] PubMed Abstract; View all

4.4 DisposalMethods: SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.
... May be disposed of by atomizing in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device.
Incineration: Incinerate in a suitable combustion chamber with an afterburner and scrubber.

4.5 DOT Emergency Guidelines: /GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire or Explosion: Flammable/combustible materials. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Health: May cause toxic effects if inhaled or ingested/swallowed. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Public Safety: CALL Emergency Response Telephone Number ... As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ 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 is recommended for fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ 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 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire: Some of these materials may react violently with water. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Large fires: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Do not get water inside containers. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. 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. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Spill or Leak: Fully encapsulating, vapor protective clothing should be worn for spills and leaks with no fire. ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb with earth, sand or other non-combustible material and transfer to containers ... Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ 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. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to 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.; View all

4.6 RIDADR: UN 1221

4.6 Fire Fighting Procedures: This chemical is a flammable liquid. Poisonous gases including nitrogen oxides and hydrogen cyanide are produced in fire. Use dry chemical, carbon dioxide, or foam extinguishers. Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or shows any digns of deforming), withdraw immediately to a secure position.
Use dry chemical, alcohol resistant foam, carbon dioxide, or water spray. Water may be ineffective. Use water spray to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.
Wear special protective clothing and positive pressure self-contained breathing apparatus.; View all

4.7 FirePotential: Flammable liquid. Vapors are heavier than air and may travel to a source of ignition and flash back. Combustion by-products include oxides of nitrogen.
Very dangerous fire hazard and moderate explosion hazard when exposed to sparks, heat, flame, or oxidizers. Can react vigorously with oxidizing materials.
High volatility, low flash point, and relatively low ignition temp produce high potential fire ... hazard.

4.8 Caution Statement: P210-P261-P280-P303 + P361 + P353-P305 + P351 + P338-P370 + P378

4.8 WGK Germany: 1

4.8 RTECS: NT8400000

4.8 Protective Equipment and Clothing: Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
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.]
Workers should use appropriate personal protective clothing and equipment that must be carefully selected, used, and maintained to be effective in preventing skin contact with isopropylamine. The selection of the appropriate personal protective equipment (PPE) (e.g., gloves, sleeves, encapsulating suits) should be based on the extent of the worker's potential exposure to isopropylamine. The resistance of various materials to permeation by isopropylamine is shown in the table. Personal Protective Equipment Materials for Isopropylamine Material Breakthrough Time (hr) Teflon >4 Butyl rubber 1-4 (CAUTION) Natural rubber, neoprene, nitrile rubber, polyvinyl chloride, viton <1 hr (NOT RECOMMENDED)
Respirator Recommendations: Up to 125 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 25 Any supplied-air respirator operated in a continuous-flow mode. Substance causes eye irritation or damage; eye protection needed. APF = 25 Any powered, air-purifying respirator with cartridge(s) providing protection against the compound of concern. Substance causes eye irritation or damage; eye protection needed.
Respirator Recommendations: Up to 250 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 50 Any chemical cartridge respirator with a full facepiece and cartridge(s) providing protection against the compound of concern. APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted canister providing protection against the compound of concern. APF = 50 Any powered, air-purifying respirator with a tight-fitting facepiece and cartridge(s) providing protection against the compound of concern. causes eye irritation or damage; eye protection needed. APF = 50 Any self-contained breathing apparatus with a full facepiece. APF = 50 Any supplied-air respirator with a full facepiece.
Respirator Recommendations: Up to 750 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 2000 Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 10,000 Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. APF = 10,000 Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted canister providing protection against the compound of concern/Any appropriate escape-type, self-contained breathing apparatus.; View all

4.9 Reactivities and Incompatibilities: Reacts with acids, aldehydes, ketones, epoxides, and oxidizing agents.
Strong acids, strong oxidizers, aldehydes, ketones, epoxides.
Incompatible with 1-chloro-1,3-epoxypropane.
Reacts with perchloryl fluoride to form an explosive liquid.
With slow mixing /with chloromethyloxirane/ and adequate cooling, smooth condensation to 1-chloro-3-isopropylamino-2-propanol occurs. With rapid mixing and poor cooling, a variable induction period with slow warming precedes a rapid, violent exotherm (to 350 deg C in 6 sec).
Interaction /with perchlorylfluroide/ , in presence of diluent below 0 deg C, with isopropylamine or isobutylamine caused separation of explosive liquids ... . In absence of diluents, contact with most aliphatic or non-aromatic heterocylic amines often leads to uncontrolled oxidation and/or explosions.
Reacts with perchloryl fluoride to form an explosive liquid.

4.10 Report

?Isopropylamine (CAS NO.75-31-0) can be obtained by aminating isopropyl alcohol with ammonia in presence of a nickel/copper or similar catalyst:

(CH₃)₂CHOH + NH₃ → (CH₃)₂CHNH₂ + H₂O

4.11 Skin, Eye, and Respiratory Irritations: Irritating to skin, eyes, and respiratory system.
A severe skin and eye irritant. Occasionally contact causes sensitization.
Humans exposed briefly to isopropylamine at 10 to 20 ppm experienced irritation of the nose and throat.

4.12 Safety: Hazard Codes:?F+,Xi
Risk Statements: 12-36/37/38?
R12:Extremely flammable.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-29?
S16:Keep away from sources of ignition.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S29:Do not empty into drains.
RIDADR: UN 1221 3/PG 1
WGK Germany: 1
RTECS: NT8400000
F: 34
HazardClass: 3
PackingGroup: I

4.13 Sensitive: Air Sensitive

4.14 Specification: ? Isopropylamine ,?its cas register number is 75-31-0. It also can be called?1-Methylethylamine ; 2-Amino-propaan ; 2-Amino-propano ; 2-Aminopropan ; 2-Aminopropane ; Isopropilamina?; Isopropylamine ; Monoisopropylamine ; Propanal, 2-amino- ; Propane, 2-amino- ; sec-Propylamine .

4.15 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	2700mg/kg (2700mg/kg)	?	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
mammal (species unspecified)	LC50	inhalation	1800mg/m3 (1800mg/m3)	?	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975.
mammal (species unspecified)	LD50	unreported	500mg/kg (500mg/kg)	?	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975.
mouse	LCLo	inhalation	7000ppm/40M (7000ppm)	?	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.
mouse	LD50	oral	2200mg/kg (2200mg/kg)	?	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
rabbit	LD50	oral	3200mg/kg (3200mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
rabbit	LD50	skin	380mg/kg (380mg/kg)	?	Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
rat	LC50	inhalation	4000ppm/4H (4000ppm)	?	Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
rat	LD50	oral	111mg/kg (111mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: OTHER CHANGES	National Technical Information Service. Vol. OTS0542011,
rat	LDLo	intraperitoneal	50mg/kg (50mg/kg)	?	Farmakologiya i Toksikologiya Vol. 31, Pg. 238, 1968.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 1

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H224 Extremely flammable liquid and vapour H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off 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. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

1H NMR : parameter neat

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

7. Synthesis Route

75-31-0Total: 32 Synthesis Route

67-63-0 130 Suppliers

75-31-0 163 Suppliers

108-18-9 117 Suppliers

Literatures:
US2636902 , ;
Yield: null

67-64-1

75-31-0 163 Suppliers

108-18-9 117 Suppliers

Literatures:
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 172, p. 226
Yield: null

67-63-0 130 Suppliers

75-31-0 163 Suppliers

108-18-9 117 Suppliers

67-64-1

Literatures:
Catalysis Letters, , vol. 143, # 12 p. 1319 - 1327
Yield: null

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8. Other Information

8.0 Usage: Isopropylamine acts as a regulating agent for plastics and an additive in the petroleum industry. It is also useful as an intermediate for pharmaceuticals, coating materials, rubber chemicals and other organic products. It also finds application in binary chemical weapons in combination with isopropyl alcohol. Further, it is used as a solvent and to prepare other chemicals.

8.1 Merck: 14,5209

8.2 BRN: 605259

8.3 Description: Isopropylamine (propan-2-amine, IUPAC) is a colorless, volatile liquid. It is highly flammable, with a flammable range of 2%–10.4% in air. Boiling point is 93°F (33°C), flash point is ?15°F (?26°C), and ignition temperature is 756°F (402°C).
It is miscible with water, with a specific gravity of 0.69, which is lighter than water. Vapor density is 2.04, which is heavier than air. In addition to flammability, isopropylamine is a strong irritant to tissue and has a TLV of 5 ppm in air. The four-digit UN identification number is 1221. The NFPA 704 designation for isopropylamine is health 3, flammability 4, and reactivity 0. Primary uses for isopropylamine are pharmaceuticals, dyes, insecticides, and as a dehairing agent.

8.4 Chemical Properties: Isopropylamine is a colorless, flammable liquid. Isopropylamine is miscible with water, alcohol, and ether.The odor threshold reportedly ranges from 0.21 to 0.70 ppm; the pungent, ammoniacal odor becomes irritating at 24mg/m3 (110).

8.5 Physical properties: Colorless liquid with a penetrating, ammonia-like odor. Experimentally determined detection and recognition odor threshold concentrations were 500 μg/m³ (210 ppb_v) and 1.7 mg/m³ (700 ppb_v), respectively (Hellman and Small, 1974). An odor threshold concentration of 25 ppb_v was reported by Nagata and Takeuchi (1990).

8.6 Occurrence: Not reported found in natu

8.7 Uses: Isopropylamine is used as a dehairing agentand as an intermediate in the preparation ofmany organics.

8.8 Uses: Isopropylamine is an organic compound is a widely used for the synthesis of pharmaceutical and agricultural goods such as glyphosphate herbicides and as an additive for petroleum industry.

8.9 Uses: Solvent, intermediate in synthesis of rubber accelerators, pharmaceuticals, dyes, insecticides, bactericides, textile specialties, and surface-active agents, dehairing agent, solubilizer for 2,4-D acid.

8.10 Production Methods: Isopropylamine can be produced from the corresponding alcohol by reacting with ammonia in the presence of a dehydrating catalyst, or from the chloride by reacting with ammonia under pressure. It is also reported that this amine can be produced from acetone and ammonia or from the acetone oxime (HSDB 1989).

8.11 Definition: ChEBI: A member of the class of alkylamines that is propane carrying an amino group at position 2.

8.12 Aroma threshold values: High strength odor; fishy type; recommend smelling in a 0.10% solution or less.

8.13 General Description: A clear colorless liquid with an ammonia-like odor. Flash point -35°F. Boiling point 90°F. Less dense than water Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used as a solvent and to make other chemicals.

8.14 Air & Water Reactions: Highly flammable. Water soluble.

8.15 Reactivity Profile: Isopropylamine is a colorless, alkaline liquid, very volatile, moderately toxic, highly flammable. Dangerous fire hazard when exposed to heat, flame, sparks, or strong oxidizers. When heated to decomposition Isopropylamine emits toxic fumes of oxides of nitrogen [M. K.]. A mixture of Isopropylamine and perchloryl fluoride resulted in an uncontrolled oxidation and/or explosion, [J. Org. Chem., 1980, 45, 4036]. The reaction of 1-chloro-2,3-epoxypropane and the amine and most probably other nitrogen bases, yields a violent exotherm, [Chem. & Ind., 1971, 994].

8.16 Hazard: Highly flammable, dangerous fire risk. Strong irritant to tissue.

8.17 Health Hazard: Isopropylamine is a strong irritant to theeyes, skin, and respiratory system. A shortexposure to 10–20 ppm can cause irritationof the nose and throat in humans (Procturand Hughes 1978). Prolonged exposure tohigh concentrations may lead to pulmonaryedema. Skin contact can cause dermatitisand skin burns. Exposure to 8000 ppm for4 hours was lethal to rats.
LD50 value, oral (mice): 2200 mg/kg.

8.18 Chemical Reactivity: Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

8.19 Industrial uses: Isopropylamine can be used as a dehairing agent and as a solvent. It also finds use as an intermediate in the production of insecticides, herbicides and bactericides and in the production of pharmaceuticals, dyes and rubber accelerators (HSDB 1989).

8.20 Environmental fate: Photolytic. Low et al. (1991) reported that the photooxidation of aqueous primary amine solutions by UV light in the presence of titanium dioxide resulted in the formation of ammonium and nitrate ions.
Chemical/Physical. Releases toxic nitrogen oxides when heated to decomposition (Sax and Lewis, 1987). Forms water-soluble salts with acids.

8.21 Metabolism: One would expect isopropylamine to be readily absorbed from the gut and respiratory tract. Shorter chain aliphatic amines such as isopropylamine also are efficiently absorbed through the skin (Beard and Noe 1981). When administered intravenously, isopropylamine distributed rapidly into tissue compartments with tissue/plasma ratios ranging from 1.8 in the atrium to 16.7 in the renal medulla (Privitera et al 1982). During the elimination phase, a half-life of 146 min was observed in plasma. There do not appear to be any definitive metabolic studies with this compound, however through a comparison with other substrates, one might expect oxidation to acetone and ammonia through the action of monoamine oxidase (Tipton 1980).

9. Computational chemical data

Molecular Weight: 59.11026g/mol
Molecular Formula: C₃H₉N
Compound Is Canonicalized: True
XLogP3-AA: 0.1
Exact Mass: 59.073499291
Monoisotopic Mass: 59.073499291
Complexity: 10.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 26
Heavy Atom Count: 4
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQCAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

What is Isopropylamine and how is it synthesized? Feb 08 2023
Isopropylamine, also known as IPA or MIPA, is a colorless hygroscopic liquid with an ammonia-like odor. It is flammable and widely used in the production of pesticides, such as methyl isothiocyanate, ..
What is Isopropylamine and its Applications? Dec 08 2021
Properties Isopropylamine, also known as IPA or MIPA, is an organic compound with the chemical formula C3H9N. It is a colorless hygroscopic liquid with an ammonia-like odor and is flammable. It is an..
What are the applications and preparation methods of Isopropylamine? Nov 17 2020
Background and Overview[1] Isopropylamine is an important raw material for the production of various pesticides such as atrazine, methyl isopropylphosphonate, and thiazone. It can also be used to prod..

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