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: 2024-12-18 14:08:57
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 | n |
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. |
Computed Descriptors for 4-Chlorobutyronitrile
InChIKey | ZFCFBWSVQWGOJJ-UHFFFAOYSA-N |
4-Chlorobutyronitrile manufacturer
Khagga Life Sciences
Anand Agencies
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