CAS 731772-69-3

3-(2-Chloro-2-propen-1-yl)benzonitrile

Description:

3-(2-Chloro-2-propen-1-yl)benzonitrile, identified by its CAS number 731772-69-3, is an organic compound characterized by the presence of a benzonitrile moiety and a vinyl chloride substituent. This compound features a nitrile functional group (-C≡N) attached to a benzene ring, which contributes to its aromatic properties and potential reactivity. The presence of the 2-chloro-2-propen-1-yl group introduces a double bond and a chlorine atom, enhancing its reactivity and making it a potential candidate for various chemical reactions, including nucleophilic substitutions and polymerizations. The compound is likely to be a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. Its applications may span across fields such as pharmaceuticals, agrochemicals, and materials science, where it could serve as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling, as compounds with halogenated groups can pose health and environmental risks.

Formula: C₁₀H₈ClN

InChI: InChI=1S/C10H8ClN/c1-8(11)5-9-3-2-4-10(6-9)7-12/h2-4,6H,1,5H2

InChI key: InChIKey=KSZRXPRYBKXCQE-UHFFFAOYSA-N

SMILES: C(C(=C)Cl)C1=CC(C#N)=CC=C1

Synonyms:

• 3-(2-Chloro-2-propen-1-yl)benzonitrile
• Benzonitrile, 3-(2-chloro-2-propen-1-yl)-
• Benzonitrile, 3-(2-chloro-2-propenyl)-