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3-Chloropropiononitrile

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3-Chloropropiononitrile Basic information

Product Name:
3-Chloropropiononitrile
Synonyms:
  • 3-chloro-propanenitril
  • 3-Chloropropanenitrile
  • 3-chloro-Propanenitrile
  • 3-Chloropropanenitrile-Chloroethylcyanide
  • 3-Chloropropanonitrile
  • 3-chloro-propionitril
  • 3-Chloropropuinitrile
  • 3-Chlorpropannitril
CAS:
542-76-7
MF:
C3H4ClN
MW:
89.52
EINECS:
208-827-0
Product Categories:
  • API Intermediate
  • C1 to C5
  • Organics
  • Cyanides/Nitriles
  • Nitrogen Compounds
Mol File:
542-76-7.mol
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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)
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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

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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 Preparation Products And Raw materials

Raw materials

3-ChloropropiononitrileSupplier

Alfa Aesar
Tel
400-6106006
Email
saleschina@alfa-asia.com
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Email
Sales-CN@TCIchemicals.com
Energy Chemical
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021-021-58432009 400-005-6266
Email
sales8178@energy-chemical.com
Beijing Ouhe Technology Co., Ltd
Tel
010-82967028 13552068683
Email
2355560935@qq.com
Syntechem Co.,Ltd
Tel
Email
info@syntechem.com