CAS 7659-47-4

4-Chloro-3-methylbutanenitrile

Description:

4-Chloro-3-methylbutanenitrile, with the CAS number 7659-47-4, is an organic compound characterized by its nitrile functional group and a branched alkyl chain. It features a chlorine atom and a methyl group attached to a butane backbone, specifically at the 4 and 3 positions, respectively. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its moderate polarity due to the presence of the nitrile group, which can engage in hydrogen bonding and dipole-dipole interactions. 4-Chloro-3-methylbutanenitrile is often utilized in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the presence of the nitrile and halogen functional groups, making it a valuable intermediate in chemical reactions such as nucleophilic substitutions and additions. Safety precautions should be taken when handling this compound, as it may pose health hazards, including irritation to skin and respiratory pathways.

Formula: C₅H₈ClN

InChI: InChI=1S/C5H8ClN/c1-5(4-6)2-3-7/h5H,2,4H2,1H3

InChI key: InChIKey=XRNJHVNFTYNNAO-UHFFFAOYSA-N

SMILES: C(CC#N)(CCl)C

Synonyms:

• 4-Chloro-3-methylbutanenitrile
• Butanenitrile, 4-chloro-3-methyl-
• NSC 76586
• Butyronitrile, 4-chloro-3-methyl-