CAS 731772-76-2

4-(3-Bromo-3-buten-1-yl)benzonitrile

Description:

4-(3-Bromo-3-buten-1-yl)benzonitrile, identified by its CAS number 731772-76-2, is an organic compound characterized by the presence of a benzonitrile moiety and a bromoalkene substituent. This compound features a nitrile group (-C≡N) attached to a benzene ring, which contributes to its potential reactivity and applications in organic synthesis. The bromoalkene portion introduces a double bond and a bromine atom, which can serve as a site for further chemical reactions, such as nucleophilic substitutions or additions. The presence of the bromine atom also enhances the compound's electrophilic character, making it useful in various synthetic pathways. Additionally, the compound's structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Its physical properties, such as solubility and melting point, would depend on the specific conditions and purity of the sample. Overall, 4-(3-Bromo-3-buten-1-yl)benzonitrile is a versatile compound with significant implications in chemical research and development.

Formula: C₁₁H₁₀BrN

InChI: InChI=1S/C11H10BrN/c1-9(12)2-3-10-4-6-11(8-13)7-5-10/h4-7H,1-3H2

InChI key: InChIKey=HNSWXBSYVYKUEI-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-(3-bromo-3-buten-1-yl)-
• Benzonitrile, 4-(3-bromo-3-butenyl)-
• 4-(3-Bromo-3-buten-1-yl)benzonitrile