CAS 81223-44-1

Benzoic acid, 4-fluoro-2-mercapto-, methyl ester

Description:

Benzoic acid, 4-fluoro-2-mercapto-, methyl ester, identified by the CAS number 81223-44-1, is an organic compound characterized by its functional groups, including a benzoic acid moiety, a fluorine atom, and a thiol (mercapto) group. This compound typically appears as a solid or liquid, depending on its specific form and purity. The presence of the methyl ester indicates that it has a methoxy group (-OCH3) attached to the carboxylic acid, which can influence its solubility and reactivity. The fluorine atom, being electronegative, can affect the compound's electronic properties, potentially enhancing its reactivity in certain chemical reactions. Additionally, the mercapto group (-SH) contributes to the compound's potential for forming disulfide bonds and participating in redox reactions. Overall, this compound may exhibit interesting biological and chemical properties, making it of interest in various fields, including pharmaceuticals and materials science. However, specific applications and safety considerations would depend on further research and analysis.

Formula: C₈H₇FO₂S

InChI: InChI=1S/C8H7FO2S/c1-11-8(10)6-3-2-5(9)4-7(6)12/h2-4,12H,1H3

InChI key: InChIKey=CQVRIGKAFSNQHM-UHFFFAOYSA-N

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

Synonyms:

• Methyl 4-fluoro-2-sulfanylbenzoate
• Methyl 4-fluoro-2-mercaptobenzoate
• Benzoic acid, 4-fluoro-2-mercapto-, methyl ester