CAS 1349716-41-1

4-Bromo-3-chloro-2-methylbenzonitrile

Description:

4-Bromo-3-chloro-2-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a bromine atom, a chlorine atom, and a methyl group, along with a nitrile functional group (-C≡N). This compound typically appears as a solid at room temperature and is known for its potential applications in pharmaceuticals and agrochemicals due to its unique reactivity and functional groups. The presence of both halogen substituents (bromine and chlorine) can influence its chemical behavior, including its reactivity in nucleophilic substitution reactions and its ability to participate in cross-coupling reactions. The nitrile group contributes to the compound's polarity and can affect its solubility in various solvents. Additionally, the specific arrangement of substituents on the benzene ring can lead to distinct physical and chemical properties, such as melting point, boiling point, and reactivity patterns. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₈H₅BrClN

InChI: InChI=1S/C8H5BrClN/c1-5-6(4-11)2-3-7(9)8(5)10/h2-3H,1H3

InChI key: InChIKey=BRRXSWUWAHOPBN-UHFFFAOYSA-N

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

Synonyms:

• 4-Bromo-3-chloro-2-methylbenzonitrile
• Benzonitrile, 4-bromo-3-chloro-2-methyl-

4-Bromo-3-chloro-2-methylbenzonitrile

CAS: 1349716-41-1

Formula: C₈H₅BrClN

Color and Shape: Solid

Molecular weight: 230.49

Ref: 10-F069691