CAS 746651-85-4

Benzonitrile, 2-(4-bromobenzoyl)-

Description:

Benzonitrile, 2-(4-bromobenzoyl)-, also known by its CAS number 746651-85-4, is an organic compound characterized by the presence of both a nitrile group and a bromobenzoyl moiety. This compound features a benzene ring substituted with a bromine atom and a carbonyl group adjacent to a nitrile functional group, contributing to its unique chemical properties. It is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. The presence of the bromine atom enhances its reactivity, making it useful in various chemical synthesis applications, including as an intermediate in pharmaceuticals and agrochemicals. The nitrile group imparts polar characteristics, influencing its solubility in organic solvents. Additionally, the compound may exhibit specific spectral properties, such as distinct absorption peaks in infrared spectroscopy due to the functional groups present. Safety considerations should be taken into account, as compounds containing bromine and nitriles can pose health risks if not handled properly.

Formula: C₁₄H₈BrNO

InChI: InChI=1S/C14H8BrNO/c15-12-7-5-10(6-8-12)14(17)13-4-2-1-3-11(13)9-16/h1-8H

InChI key: InChIKey=FKICEKCIBHVQER-UHFFFAOYSA-N

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

Synonyms:

• 2-(4-Bromo-benzoyl)-benzonitrile
• Benzonitrile, 2-(4-Bromobenzoyl)-
• 2-(4-Bromobenzoyl)benzonitrile