4-Chlorobutyronitrile

CAS NO.：628-20-6
Empirical Formula: C4H6ClN
Molecular Weight: 103.55
MDL number: MFCD00001972
EINECS: 211-031-6
SAFETY DATA SHEET (SDS)
Update Date: 2023-11-08 14:31:36

What is 4-Chlorobutyronitrile?

Chemical properties

Clear Colourless Liquid. 4-Chlorobutyronitrile [628-20-6], 4- chlorobutanenitrile, Cl (CH2 )3CN, Mr 103.55, bp 189 – 191℃ (101.3 kPa), d154 1.0934, n20D 1.4413, is a liquid, miscible with ethanol and diethyl ether; it is immiscible with water.

The Uses of 4-Chlorobutyronitrile

4-Chlorobutyronitrile (cas# 628-20-6) is a compound useful in organic synthesis.

Production Methods

4-Chlorobutyronitrile is readily obtained by reacting 1-bromo-3-chloropropane with sodium cyanide. It is used in the synthesis of the pharmaceuticals buflomedil and buspirone. 4-Chlorobutyronitrile also yields cyclopropanecarbonitrile upon cyclization with base.

General Description

A liquid. Flash point 85°F. Density about 9.7 lb / gal and practically insoluble in water (2 parts/100 parts water). Hence sinks in water. Vapors are heavier than air. Irritates the eyes but not to the skin. Releases hydrogen chloride, hydrogen cyanide, and hydrogen bromide gases when heated or involved in a fire.

Air & Water Reactions

Highly flammable. Practically insoluble in water.

Reactivity Profile

4-Chlorobutyronitrile may attack some forms of plastics [USCG, 1999].

Health Hazard

Chemical is moderately toxic. Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes causes irritation. Can penetrate the skin on prolonged contact; only slightly irritating.

Fire Hazard

Special Hazards of Combustion Products: Toxic and irritating hydrogen cyanide, hydrogen bromide, and hydrogen chloride may form in fires.

Properties of 4-Chlorobutyronitrile

Boiling point:	195-197 °C (lit.)
Density	1.095 g/mL at 20 °C
refractive index	n20/D 1.442(lit.)
Flash point:	185 °F
storage temp.	Inert atmosphere,Room Temperature
solubility	Chloroform, Ethyl Acetate (Slightly)
form	Liquid
color	Clear colorless to pale yellow
Specific Gravity	1.158
Water Solubility	immiscible
BRN	1633582
CAS DataBase Reference	628-20-6(CAS DataBase Reference)
NIST Chemistry Reference	Butanenitrile, 4-chloro-(628-20-6)
EPA Substance Registry System	4-Chlorobutyronitrile (628-20-6)

Safety information for 4-Chlorobutyronitrile

Signal word	Danger
Pictogram(s)	Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.