CAS 90564-16-2

2,3-Dimethyl-6-nitrobenzoic acid

Description:

2,3-Dimethyl-6-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, while the nitro group is situated at the 6 position on the benzene ring. This compound typically appears as a solid at room temperature and is known for its relatively low solubility in water, but it can dissolve in organic solvents such as ethanol and acetone. The presence of the nitro group contributes to its electron-withdrawing properties, which can influence its reactivity and acidity. As a benzoic acid derivative, it can participate in various chemical reactions, including esterification and nucleophilic substitutions. Its applications may extend to fields such as pharmaceuticals, agrochemicals, and materials science, where it can serve as an intermediate or a building block for more complex molecules. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₉H₉NO₄

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

InChI key: InChIKey=ZBDQMAHZWQQWSG-UHFFFAOYSA-N

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

Synonyms:

• 2,3-Dimethyl-6-nitrobenzoic acid
• Benzoic acid, 2,3-dimethyl-6-nitro-