CAS 746651-84-3

2-(3-Bromobenzoyl)benzonitrile

Description:

2-(3-Bromobenzoyl)benzonitrile, with the CAS number 746651-84-3, is an organic compound characterized by its structure, which features a benzene ring substituted with both a bromobenzoyl group and a nitrile group. This compound typically exhibits a solid state at room temperature and is likely to be a crystalline substance. The presence of the bromine atom introduces notable electronegativity, influencing the compound's reactivity and potential applications in organic synthesis. The nitrile functional group (-C≡N) contributes to its polarity and can participate in various chemical reactions, such as nucleophilic additions. Additionally, the compound may exhibit specific spectral characteristics in techniques like NMR and IR spectroscopy, which can be used for its identification and characterization. Its potential applications may include use in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, owing to the functional groups present that allow for further chemical modifications. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₁₄H₈BrNO

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

InChI key: InChIKey=XFWDUJFMWPGAHQ-UHFFFAOYSA-N

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

Synonyms:

• 3-Bromo-2′-cyanobenzophenone
• 2-(3-Bromobenzoyl)benzonitrile
• Benzonitrile, 2-(3-bromobenzoyl)-