CAS 898784-15-1

4-[2-(4-Bromophenyl)acetyl]benzonitrile

Description:

4-[2-(4-Bromophenyl)acetyl]benzonitrile, with the CAS number 898784-15-1, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a bromophenyl acetyl group. This compound typically appears as a solid at room temperature and is soluble in organic solvents such as dimethyl sulfoxide (DMSO) and acetone, but may have limited solubility in water. The presence of the bromine atom in the structure contributes to its potential reactivity and influences its electronic properties, making it a candidate for various chemical reactions. The nitrile functional group (-C≡N) is known for its ability to participate in nucleophilic addition reactions, while the acetyl group can undergo acylation reactions. This compound may be of interest in medicinal chemistry and material science due to its potential biological activity and utility in synthesizing other complex molecules. Safety data should be consulted for handling, as halogenated compounds can pose health risks.

Formula: C₁₅H₁₀BrNO

InChI: InChI=1/C15H10BrNO/c16-14-7-3-11(4-8-14)9-15(18)13-5-1-12(10-17)2-6-13/h1-8H,9H2

InChI key: InChIKey=GEKKVLVPKNQQJO-UHFFFAOYSA-N

SMILES: C(CC1=CC=C(Br)C=C1)(=O)C2=CC=C(C#N)C=C2

Synonyms:

• Benzonitrile, 4-[2-(4-bromophenyl)acetyl]-
• 4-[2-(4-Bromophenyl)acetyl]benzonitrile