CAS 857005-85-7

2-Chloro-6-methyl-3-nitrobenzoic acid

Description:

2-Chloro-6-methyl-3-nitrobenzoic acid is an aromatic compound characterized by the presence of a benzoic acid structure substituted with a chlorine atom, a methyl group, and a nitro group. The chlorine atom is located at the second position, the methyl group at the sixth position, and the nitro group at the third position of the benzene ring. This compound is typically a solid at room temperature and is soluble in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the aromatic ring. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. Additionally, the nitro group can influence the compound's reactivity and polarity, making it useful in synthetic organic chemistry. Its unique structure may also confer specific biological activities, making it of interest in pharmaceutical research. Safety data should be consulted for handling and potential hazards associated with this compound.

Formula: C₈H₆ClNO₄

InChI: InChI=1S/C8H6ClNO4/c1-4-2-3-5(10(13)14)7(9)6(4)8(11)12/h2-3H,1H3,(H,11,12)

InChI key: InChIKey=ZUZDKCHEDVLZEB-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(Cl)C(N(=O)=O)=CC=C1C

Synonyms:

• Benzoic acid, 2-chloro-6-methyl-3-nitro-
• 6-Chloro-2-methyl-5-nitrobenzoic acid
• 2-Chloro-6-methyl-3-nitrobenzoic acid
• o-Toluic acid, 6-chloro-5-nitro-