CAS 124289-23-2

3-(Bromomethyl)-5-methylbenzonitrile

Description:

3-(Bromomethyl)-5-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both a bromomethyl group and a nitrile group. The presence of the bromomethyl group introduces a halogen, which can influence the compound's reactivity and polarity, while the nitrile group contributes to its overall functionality, often enhancing its ability to participate in nucleophilic reactions. This compound typically appears as a solid at room temperature and is soluble in organic solvents. Its molecular structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, due to the reactivity of the bromomethyl and nitrile groups. Additionally, the presence of the methyl group can affect the steric and electronic properties of the molecule, influencing its behavior in chemical reactions. Safety precautions should be taken when handling this compound, as it may pose health risks associated with brominated compounds and nitriles.

Formula: C₉H₈BrN

InChI: InChI=1S/C9H8BrN/c1-7-2-8(5-10)4-9(3-7)6-11/h2-4H,5H2,1H3

InChI key: InChIKey=BHHHTJQBFRLUAD-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 3-(bromomethyl)-5-methyl-
• 3-(Bromomethyl)-5-methylbenzonitrile