CAS 731772-75-1

4-(3-Chloro-3-buten-1-yl)benzonitrile

Description:

4-(3-Chloro-3-buten-1-yl)benzonitrile, identified by its CAS number 731772-75-1, is an organic compound characterized by the presence of a benzonitrile moiety and a chloroalkene 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 chloroalkene group, specifically the 3-chloro-3-buten-1-yl portion, introduces unsaturation and halogen functionality, which can influence the compound's chemical behavior, including its reactivity in nucleophilic substitution and addition reactions. The presence of the chlorine atom may also impart specific physical properties, such as increased polarity and potential for hydrogen bonding. This compound may be of interest in various fields, including organic synthesis and materials science, due to its unique structural features. However, detailed safety and handling information should be consulted, as compounds with halogenated groups can exhibit varying degrees of toxicity and environmental impact.

Formula: C₁₁H₁₀ClN

InChI: InChI=1S/C11H10ClN/c1-9(12)2-3-10-4-6-11(8-13)7-5-10/h4-7H,1-3H2

InChI key: InChIKey=ANEJSUOWDHYLGE-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-(3-chloro-3-butenyl)-
• 4-(3-Chloro-3-buten-1-yl)benzonitrile
• Benzonitrile, 4-(3-chloro-3-buten-1-yl)-