CAS 118939-18-7

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid

Description:

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid is an aromatic compound characterized by the presence of a benzoic acid core substituted with a fluorine atom, a methyl group, and a methylsulfonyl group. The fluorine atom introduces unique electronic properties, potentially enhancing the compound's reactivity and solubility in various solvents. The methylsulfonyl group contributes to the compound's polar characteristics, which can influence its interactions in biological systems and its solubility in polar solvents. This compound is likely to exhibit acidic behavior due to the carboxylic acid functional group, allowing it to participate in acid-base reactions. Its structural features suggest potential applications in pharmaceuticals or agrochemicals, where modifications to aromatic systems can lead to enhanced biological activity. Additionally, the presence of both electron-withdrawing (fluoro and sulfonyl) and electron-donating (methyl) groups can affect the compound's overall reactivity and stability. Overall, 3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid is a complex molecule with diverse chemical properties that may be explored in various scientific fields.

Formula: C₉H₉FO₄S

InChI: InChI=1S/C9H9FO4S/c1-5-6(9(11)12)3-4-7(8(5)10)15(2,13)14/h3-4H,1-2H3,(H,11,12)

InChI key: InChIKey=AMTWIUHPASHZQO-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=C(F)C(C)=C(C(O)=O)C=C1

Synonyms:

• 3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid
• 3-Fluoro-4-methanesulfonyl-2-methylbenzoic acid
• Benzoic acid, 3-fluoro-2-methyl-4-(methylsulfonyl)-