3-Chloropropiononitrile Chemical Properties

Melting point:

-52--50 °C (lit.)

Boiling point:

174-176 °C (lit.)

Density 

1.144 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.438(lit.)

Flash point:

168 °F

storage temp. 

Store below +30°C.

solubility 

45g/l

form 

clear liquid

color 

Colorless to Almost colorless

Water Solubility 

4.50 g/100 mL

Merck 

14,2160

BRN 

1098454

CAS DataBase Reference

542-76-7(CAS DataBase Reference)

NIST Chemistry Reference

Cl(CH2)2CN(542-76-7)

EPA Substance Registry System

3-Chloropropionitrile (542-76-7)

Safety Information

Hazard Codes 

T+

Risk Statements 

23-28

Safety Statements 

36/37/39-45

RIDADR 

UN 3276 6.1/PG 2

WGK Germany 

3

RTECS 

UG1400000

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

II

HS Code 

29269095

Hazardous Substances Data

542-76-7(Hazardous Substances Data)

Toxicity

LD50 orally in mice, rats: 9, 100 mg/kg, Fassett in Industrial Hygiene and Toxicology vol. 2, F. A. Patty, Ed. (Interscience, New York, 2nd ed., 1962) pp 2025-2026

MSDS

• Language:English Provider:3-Chloropropiononitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Chloropropiononitrile Usage And Synthesis

Description

3-Chloropropionitrile is a combustible, colorless liquid with an acrid odor. Molecular weight =89.53;Boiling point=175-176℃ (decomposes); Flashpoint =76℃. Hazard Identification (based on NFPA-704 MRating System): Flammability 2, Reactivity 1

Chemical Properties

3-Chloropropionitrile is a combustible, colorless liquid with an acrid odor

Uses

3-Chloropropionitrile is used in pharmaceutical and polymer synthesis.

Uses

In pharmaceutical and polymer synthesis. Combines the reactivity of a nitrile and an alkyl halide. Because of the cyano group the chlorine atom is more reactive than in ordinary alkyl halides.

Production Methods

3-Chloropropionitrile [542-76-7], 3-chloropropanenitrile, b-chloropropionitrile, ClCH2 CH2CN, Mr 89.53, mp-51℃, bp 175 –176℃ (101.3 kPa), n20D 1.4360, d204 1.1573, is a colorless liquid miscible with acetone, benzene, ethanol and diethyl ether. It can be obtained by hydrochlorination of acrylonitrile with hydrochloric acid [49] and is used as an organic intermediate in the synthesis of the H2-receptor famotidine.

General Description

Colorless liquid with a characteristic acrid odor. Used in pharmaceutical and polymer synthesis.

Reactivity Profile

Toxic gas (hydrogen chloride) is released when the compound is heated above 266 F. When heated to decomposition, 3-Chloropropiononitrile emits very toxic fumes of chlorine- containing compounds and nitrogen oxides. Avoid heat. [EPA, 1998].

Hazard

Toxic by ingestion, inhalation, and skin contact. Combustible.

Health Hazard

Toxic effects are a result of systemic cyanide poisoning. (Non-Specific -- Cyanide) Few poisons are more rapidly lethal. Average oral lethal dose for hydrogen cyanide is approximately 60-90 mg (corresponds to 200 mg of potassium cyanide). Cause of death is lack of oxygen to the body's cells (especially the brain and heart) as a result of the chemical inhibiting cell enzymes.

Fire Hazard

Toxic gas (hydrogen chloride) is released when the compound is heated above 266F. When heated to decomposition, 3-Chloropropiononitrile emits very toxic fumes of chlorine- containing compounds and nitrogen oxides. Avoid heat.

Potential Exposure

This material is used in pharmaceutical manufacture and in polymer synthesis.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.
Use amyl nitrate capsules if symptoms develop. All areaemployees should be trained regularly in emergency measures for cyanide poisoning and in CPR. A cyanide antidotekit should be kept in the immediate work area and must berapidly available. Kit ingredients should be replaced every12 years to ensure freshness. Persons trained in the use ofthis kit, oxygen use, and CPR must be quickly available.

storage

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with thischemical you should be trained on its proper handling andstorage. Before entering confined space where 3-chloropropionitrile may be present, check to make sure that an explosive concentration does not exist. Store in tightly closedcontainers in a cool, well-ventilated area. Metal containersinvolving the transfer of this chemical should be groundedand bonded. Where possible, automatically pump liquidfrom drums or other storage containers to process containers. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use onlynonsparking tools and equipment, especially when openingand closing containers of this chemical. Sources of ignition,such as smoking and open flames, are prohibited where thischemical is used, handled, or stored in a manner that couldcreate a potential fire or explosion hazard.

Shipping

UN3276 Nitriles, liquid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required, Potential Inhalation Hazard (Special Provision 5).

Incompatibilities

Contact with strong oxidizers may cause a fire and explosion hazard

3-Chloropropiononitrile(542-76-7)Related Product Information

• 3-Aminopropionitrile
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