CAS 123278-08-0

3-Iodo-2,6-dimethylbenzoic acid

Description:

3-Iodo-2,6-dimethylbenzoic acid is an aromatic carboxylic acid characterized by the presence of an iodine atom and two methyl groups on a benzoic acid framework. The iodine substituent is located at the meta position relative to the carboxylic acid group, while the methyl groups are situated at the ortho positions. This compound typically exhibits a solid state at room temperature and is likely to be white to off-white in appearance. It is soluble in organic solvents, such as ethanol and acetone, but may have limited solubility in water due to the hydrophobic nature of the aromatic ring and the bulky methyl groups. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. Additionally, the iodine atom can enhance the compound's reactivity in nucleophilic substitution reactions. Overall, 3-Iodo-2,6-dimethylbenzoic acid is of interest in organic synthesis and medicinal chemistry due to its unique structural features and potential biological activities.

Formula: C₉H₉IO₂

InChI: InChI=1S/C9H9IO2/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)

InChI key: InChIKey=IISIKUKOZQFKSW-UHFFFAOYSA-N

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

Synonyms:

• 3-Iodo-2,6-dimethylbenzoic acid
• Benzoic acid, 3-iodo-2,6-dimethyl-
• 2,6-Dimethyl-3-iodobenzoic acid