CAS 90564-15-1

2,3-Dimethyl-4-nitrobenzoic acid

Description:

2,3-Dimethyl-4-nitrobenzoic acid is an aromatic carboxylic acid characterized by the presence of a benzoic acid core substituted with two methyl groups and a nitro group. The methyl groups are located at the 2 and 3 positions of the benzene ring, while the nitro group is positioned at the 4 position, contributing to the compound's unique reactivity and properties. This compound typically appears as a solid at room temperature and is soluble in organic solvents, but its solubility in water is limited due to its hydrophobic methyl groups. The presence of the nitro group introduces significant electron-withdrawing characteristics, influencing the acidity of the carboxylic acid functional group. As a result, 2,3-Dimethyl-4-nitrobenzoic acid can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it useful in organic synthesis and as an intermediate in the production of dyes and pharmaceuticals. Safety data should be consulted for handling, as nitro compounds can be hazardous.

Formula: C₉H₉NO₄

InChI: InChI=1S/C9H9NO4/c1-5-6(2)8(10(13)14)4-3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)

InChI key: InChIKey=CHCGWNQHGOGCNA-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2,3-dimethyl-4-nitro-
• 2,3-Dimethyl-4-nitrobenzoic acid