CAS 97113-41-2

4-Chloro-5-methyl-2-nitrobenzonitrile

Description:

4-Chloro-5-methyl-2-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chloro group, a methyl group, a nitro group, and a nitrile functional group. The presence of the chloro group introduces a halogen, which can influence the compound's reactivity and polarity. The methyl group contributes to the compound's hydrophobic characteristics, while the nitro group is a strong electron-withdrawing group, enhancing the compound's electrophilic properties. The nitrile functional group (-C≡N) adds to the compound's overall polarity and can participate in various chemical reactions, such as nucleophilic additions. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the substance. Safety precautions should be taken when handling this compound, as it may pose health risks due to its chemical nature.

Formula: C₈H₅ClN₂O₂

InChI: InChI=1S/C8H5ClN2O2/c1-5-2-6(4-10)8(11(12)13)3-7(5)9/h2-3H,1H3

InChI key: InChIKey=MFHOJXKCGBQTSM-UHFFFAOYSA-N

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

Synonyms:

• 4-Chloro-5-methyl-2-nitrobenzonitrile
• Benzonitrile, 4-chloro-5-methyl-2-nitro-