CAS 1160759-52-3: 4-Cyano-3-methylbenzoyl chloride

Description:4-Cyano-3-methylbenzoyl chloride is an organic compound characterized by its functional groups, including a cyano group (-CN) and an acyl chloride group (-COCl). It features a benzene ring substituted with a methyl group and a cyano group at the 3 and 4 positions, respectively. This compound is typically a colorless to pale yellow liquid or solid, depending on its form and purity. It is known for its reactivity, particularly due to the presence of the acyl chloride functional group, which can readily undergo nucleophilic substitution reactions. This makes it useful in organic synthesis, particularly in the preparation of various derivatives and intermediates in pharmaceuticals and agrochemicals. Additionally, 4-Cyano-3-methylbenzoyl chloride may exhibit moderate toxicity, necessitating careful handling and appropriate safety measures during its use in laboratory or industrial settings. Its solubility in organic solvents and stability under specific conditions further contribute to its utility in chemical synthesis.

Formula:C₉H₆ClNO

InChI:InChI=1S/C9H6ClNO/c1-6-4-7(9(10)12)2-3-8(6)5-11/h2-4H,1H3

InChI key:InChIKey=BMONGHDYVFYZLL-UHFFFAOYSA-N

SMILES:N#CC1=CC=C(C=C1C)C(=O)Cl