CAS 731772-72-8

3-(3-Bromo-3-buten-1-yl)benzonitrile

Description:

3-(3-Bromo-3-buten-1-yl)benzonitrile, identified by its CAS number 731772-72-8, is an organic compound characterized by the presence of both a nitrile group and a brominated alkenyl substituent. This compound features a benzene ring attached to a nitrile (-C≡N) functional group, which contributes to its reactivity and potential applications in organic synthesis. The brominated alkenyl group, specifically the 3-bromo-3-buten-1-yl moiety, introduces additional reactivity due to the presence of the bromine atom and the double bond, making it a useful intermediate in various chemical reactions, including nucleophilic substitutions and cross-coupling reactions. The compound is likely to exhibit moderate to high polarity due to the nitrile group, influencing its solubility in polar solvents. Additionally, the presence of the bromine atom may impart unique electronic properties, affecting its behavior in chemical reactions. Overall, 3-(3-Bromo-3-buten-1-yl)benzonitrile is a versatile compound with potential applications in pharmaceuticals and materials science.

Formula: C₁₁H₁₀BrN

InChI: InChI=1S/C11H10BrN/c1-9(12)5-6-10-3-2-4-11(7-10)8-13/h2-4,7H,1,5-6H2

InChI key: InChIKey=KYITYNQHCRQMQO-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 3-(3-bromo-3-buten-1-yl)-
• Benzonitrile, 3-(3-bromo-3-butenyl)-
• 3-(3-Bromo-3-buten-1-yl)benzonitrile