CAS 1253790-62-3

3-Bromo-2-ethylbenzonitrile

Description:

3-Bromo-2-ethylbenzonitrile is an organic compound characterized by the presence of a bromine atom, an ethyl group, and a nitrile functional group attached to a benzene ring. Its molecular structure features a bromine substituent at the meta position relative to the nitrile group and an ethyl group at the ortho position. This compound is typically a colorless to pale yellow solid and is soluble in organic solvents. The presence of the nitrile group contributes to its polar nature, which can influence its reactivity and interactions with other chemical species. 3-Bromo-2-ethylbenzonitrile can participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, making it a valuable intermediate in organic synthesis. Its bromine atom can serve as a leaving group in reactions, while the nitrile group can be involved in further transformations, such as hydrolysis or reduction. Overall, this compound is of interest in the fields of medicinal chemistry and materials science due to its potential applications in synthesizing more complex molecules.

Formula: C₉H₈BrN

InChI: InChI=1S/C9H8BrN/c1-2-8-7(6-11)4-3-5-9(8)10/h3-5H,2H2,1H3

InChI key: InChIKey=FOSAFYKPMWNNNT-UHFFFAOYSA-N

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

Synonyms:

• 3-Bromo-2-ethylbenzonitrile
• Benzonitrile, 3-bromo-2-ethyl-