CAS 78583-85-4

3-Chloro-3-(4-methylphenyl)-2-propenenitrile

Description:

3-Chloro-3-(4-methylphenyl)-2-propenenitrile, with the CAS number 78583-85-4, is an organic compound characterized by its unique structure, which includes a chloro group, a nitrile functional group, and a phenyl ring substituted with a methyl group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its reactivity due to the presence of the nitrile and alkene functionalities, making it useful in various chemical syntheses and applications, particularly in the field of organic chemistry. The chloro group can participate in nucleophilic substitution reactions, while the nitrile group can undergo hydrolysis or be involved in condensation reactions. Additionally, this compound may exhibit biological activity, which could be of interest in pharmaceutical research. Proper handling and storage are essential, as it may pose health risks if inhaled or ingested, and safety data sheets should be consulted for specific safety measures.

Formula: C₁₀H₈ClN

InChI: InChI=1S/C10H8ClN/c1-8-2-4-9(5-3-8)10(11)6-7-12/h2-6H,1H3

InChI key: InChIKey=BUCXABHGFYELCE-UHFFFAOYSA-N

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

Synonyms:

• 3-Chloro-3-(4-methylphenyl)-2-propenenitrile
• 2-Propenenitrile, 3-chloro-3-(4-methylphenyl)-