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beta-Chloropropiontrile

3-chloropropionitrile

CAS: 542-76-7

Molecular Formula: C3H4ClN

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beta-Chloropropiontrile - Names and Identifiers

Name 3-chloropropionitrile
Synonyms 3-Chlorpropannitril
Chloropropionitrile
3-chloro-propionitril
3-Chloropropuinitrile
3-chloropropionitrile
3-chloropropanenitrile
3-Chloropropanenitrile
3-Chloropropanonitrile
3-chloro-propanenitril
3-Chloropropane Nitrile
3-chloropropiononitrile
3-chloro-Propanenitrile
beta-Chloropropiontrile
beta-chloropropionitrile
3-Chloropropanenitrile-Chloroethylcyanide
PROPIONITRILE, 3-CHLORO- (3-CHLOROPROPIONITRILE
CAS 542-76-7
EINECS 208-827-0
InChI InChI=1/C3H4ClN/c4-2-1-3-5/h1-2H2

beta-Chloropropiontrile - Physico-chemical Properties

Molecular FormulaC3H4ClN
Molar Mass89.52
Density1.144 g/mL at 25 °C (lit.)
Melting Point-52--50 °C (lit.)
Boling Point174-176 °C (lit.)
Flash Point168°F
Water Solubility4.50 g/100 mL
Solubility 45g/l
Vapor Presure1.08mmHg at 25°C
Appearanceclear liquid
ColorColorless to Almost colorless
Merck14,2160
BRN1098454
Storage ConditionStore below +30°C.
Refractive Indexn20/D 1.438(lit.)
Physical and Chemical PropertiesColorless liquid. Melting Point -51 ℃, boiling point of 175-176 ℃ (decomposition),85-87 ℃(2.67kPa), relative density of 1.1573, refractive index of 1.4360, flash point of 75 ℃. It is miscible with alcohol, ether, acetone, benzene and carbon tetrachloride. The solubility in water at 25 °c was 4.5g. Spicy smell.
UseUsed as intermediates and raw materials for organic synthesis

beta-Chloropropiontrile - Risk and Safety

Hazard SymbolsT+ - Very toxic
Very toxic
Risk CodesR23 - Toxic by inhalation
R28 - Very Toxic if swallowed
Safety DescriptionS36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDsUN 3276 6.1/PG 2
WGK Germany3
RTECSUG1400000
TSCAYes
HS Code29269095
Hazard Class6.1
Packing GroupII
ToxicityLD50 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

beta-Chloropropiontrile - Reference Information

NIST chemical information Information provided by: webbook.nist.gov (external link)
EPA chemical information Information provided by: ofmpub.epa.gov (external link)
use for drug and polymer synthesis.
Used as an intermediate and raw material for organic synthesis
Production method is obtained by the reaction of acrylonitrile and hydrogen chloride. Under cooling, the dry hydrogen chloride is introduced into acrylonitrile, the hydrogen chloride is quickly absorbed and reacted, and the ventilation is stopped when the reaction liquid slowly increases to the theoretical amount. The 68-71 ℃(2.13kPa) fraction was collected by distillation, washed with 10% sodium carbonate, and dried with anhydrous sodium sulfate. The 70-71°C (2.13kPa) fraction is redistilled to obtain the finished product. The yield is 80%.
category toxic substances
toxicity classification highly toxic
acute toxicity oral-rat LD50: 100 mg/kg; Oral-mouse LD50: 9 mg/kg
flammability hazard characteristics open flame is combustible; high heat emits toxic hydrocyanic acid gas; heated to produce toxic chloride and nitrogen oxide smoke
storage and transportation characteristics warehouse ventilation and low temperature drying; Store separately from food additives and oxidants
fire extinguishing agent mist water, carbon dioxide, sand. Disable acid-base fire extinguishing agent.
toxic substance data information provided by: pubchem.ncbi.nlm.nih.gov (external link)
Last Update:2024-04-09 02:00:05
beta-Chloropropiontrile
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CAS: 542-76-7
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Jiangsu Pules Biotechnology Co.,Ltd.
Product Name: 3-chloropropionitrile Request for quotation
CAS: 542-76-7
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
SKYRUN INDUSTRIAL CO.,LTD
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Product Name: 3-Chloropropionitrile Visit Supplier Webpage Request for quotation
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SHANGHAI ACMEC BIOCHEMICAL TECHNOLOGY CO., LTD.
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Product Name: 3-Chloropropionitrile Visit Supplier Webpage Request for quotation
CAS: 542-76-7
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