4-Chlorobutanenitrile

Basic Information

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CAS Number

628-20-6

Molecular Formula

C4H6ClN

Molecular Weight

92.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

194°C

Density

1.095 g/mL at 20 °C

Refractive Index

n20/D 1.442(lit.)

SMILES

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C(CC#N)CCl

InChI

InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2

InChIKey

ZFCFBWSVQWGOJJ-UHFFFAOYSA-N

LogP

2.0253

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

61.2

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Sensitive to air

Synonyms & References

English

4-chloro-butyronitrile
FT-0618204
NSC 8410
4chlorobutyronitrile
4-Chlorobutanenitrile
NSC 8410; -Chlorobutyronitrile
MFCD00001972
BUTYRONITRILE, 4-CHLORO-
3-chloro-1-cyanopropane
.gamma.-Chlorobutyronitrile
9JDK6275GP
1-Chloro-3-cyanopropane
NS00035183
NSC-8410
1-Iodo-4-ethoxy-benzene
BRN 1633582
?-Chlorobutyronitrile
AI3-52325
EN300-20802
4-chloranylbutanenitrile
NSC8410
AMY40893
gamma-Chlorobutyronitrile
NSC 8410; gamma-Chlorobutyronitrile
628-20-6
Butanenitrile, 4-chloro-
EINECS 211-031-6
UNII-9JDK6275GP
4-chloro-butanenitrile
SY001790
Q-200458

MDL Number

MFCD00001972

Customs Code

29269095

FAQ

What are the physical and chemical properties of 4-Chlorobutanenitrile (CAS: 628-20-6)?

4-Chlorobutanenitrile is a colorless to light yellow liquid with a molecular weight of 127.57 g/mol. It has a melting point of -43°C, a boiling point of 82-83°C, and a density of 1.05 g/cm³. The compound is slightly soluble in water and soluble in ethanol, acetone, and other organic solvents. It is reactive towards nucleophiles and can undergo substitution reactions. It is also prone to hydrolysis under basic conditions.

How is 4-Chlorobutanenitrile (CAS: 628-20-6) typically synthesized?

4-Chlorobutanenitrile is commonly synthesized via the reaction of 1-chlorobutane with hydrogen cyanide. Alternatively, it can be produced by the hydrolysis of 4-chlorobutanoyl chloride. The synthesis typically involves the use of a phase-transfer catalyst and requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use 4-Chlorobutanenitrile (CAS: 628-20-6)?

4-Chlorobutanenitrile is mainly used in the production of intermediates for pharmaceuticals and agrochemicals. It is also utilized in the synthesis of surfactants and adhesives. Additionally, it finds applications in the manufacturing of polymers and as a monomer for sensor fabrication.

What precautions should be taken when handling 4-Chlorobutanenitrile (CAS: 628-20-6)?

When handling 4-Chlorobutanenitrile, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a cool, dry, well-ventilated area away from heat and ignition sources. In case of accidental spillage, clean up with care following safety guidelines and using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.