CAS 1076198-25-8

4-(4-Chlorobenzoyl)-3-(hydroxymethyl)benzonitrile

Description:

4-(4-Chlorobenzoyl)-3-(hydroxymethyl)benzonitrile, identified by its CAS number 1076198-25-8, is an organic compound characterized by its complex aromatic structure. It features a chlorobenzoyl group and a hydroxymethyl group attached to a benzonitrile framework, which contributes to its potential reactivity and solubility properties. The presence of the chlorobenzoyl moiety may impart specific electronic and steric effects, influencing its behavior in chemical reactions. The hydroxymethyl group can participate in hydrogen bonding, enhancing its solubility in polar solvents. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its synthesis typically involves multi-step organic reactions, and it may be analyzed using techniques such as NMR spectroscopy, mass spectrometry, and chromatography to confirm its structure and purity. Safety data should be consulted for handling, as the presence of chlorine and nitrile functional groups can pose health risks. Overall, this compound represents a valuable entity in the field of organic chemistry and medicinal chemistry.

Formula: C₁₅H₁₀ClNO₂

InChI: InChI=1S/C15H10ClNO2/c16-13-4-2-11(3-5-13)15(19)14-6-1-10(8-17)7-12(14)9-18/h1-7,18H,9H2

InChI key: InChIKey=COCJUZNVDCSTPQ-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(CO)C=C(C#N)C=C1)C2=CC=C(Cl)C=C2

Synonyms:

• 4-(4-Chlorobenzoyl)-3-(hydroxymethyl)benzonitrile
• Benzonitrile, 4-(4-chlorobenzoyl)-3-(hydroxymethyl)-