CAS 939990-03-1

2-Amino-5-chloro-3-methylbenzonitrile

Description:

2-Amino-5-chloro-3-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with an amino group, a chloro group, and a methyl group, along with a nitrile functional group. The presence of the amino group (-NH2) indicates that it can participate in hydrogen bonding, potentially enhancing its solubility in polar solvents. The chloro substituent introduces electronegativity, which can influence the compound's reactivity and polarity. The methyl group contributes to the hydrophobic character of the molecule. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the sample. Safety data should be consulted, as halogenated compounds can pose health risks, and appropriate handling procedures should be followed in laboratory settings.

Formula: C₈H₇ClN₂

InChI: InChI=1S/C8H7ClN2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-3H,11H2,1H3

InChI key: InChIKey=YBSPWZOHUJGGQB-UHFFFAOYSA-N

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

Synonyms:

• 2-Amino-5-chloro-3-methylbenzonitrile
• Benzonitrile, 2-amino-5-chloro-3-methyl-