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4-Chlorobutanenitrile(CAS: 628-20-6)

4-Chlorobutanenitrile
CAS Number

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Basic Information

Molecular Formula
C4H6ClN
Molecular Weight
92.57 g/mol

Physical Properties

Boiling Point
194°C(lit.)
Density
1.095 g/mL at 20 °C

Chemical Identifiers

SMILES
C(CC#N)CCl
InChIKey
ZFCFBWSVQWGOJJ-UHFFFAOYSA-N

Database References

MDL Number
MFCD00001972
Beilstein Registry Number
1633582

FAQ

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.
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.
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.
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.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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