CAS 749929-89-3

1-(4-Bromo-2-chlorophenyl)cyclopropanecarbonitrile

Description:

1-(4-Bromo-2-chlorophenyl)cyclopropanecarbonitrile is a chemical compound characterized by its unique structure, which includes a cyclopropane ring attached to a phenyl group that is further substituted with bromine and chlorine atoms. This compound features a nitrile functional group (-C≡N), which contributes to its reactivity and potential applications in organic synthesis. The presence of halogen substituents, specifically bromine and chlorine, can influence the compound's electronic properties, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. The cyclopropane moiety adds strain to the structure, which can enhance its reactivity compared to more stable cyclic compounds. This compound may be of interest in medicinal chemistry and material science due to its potential biological activity and utility in the development of new pharmaceuticals or agrochemicals. As with many halogenated compounds, it is essential to handle it with care, considering environmental and health regulations regarding halogenated organic substances.

Formula: C₁₀H₇BrClN

InChI: InChI=1S/C10H7BrClN/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2

InChI key: InChIKey=PUQPBFAEYWRFRJ-UHFFFAOYSA-N

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

Synonyms:

• 1-(4-Bromo-2-chlorophenyl)cyclopropanecarbonitrile
• Cyclopropanecarbonitrile, 1-(4-bromo-2-chlorophenyl)-