CAS 1242338-93-7

2-Chloro-3-(chlorosulfonyl)-5-fluorobenzoic acid

Description:

2-Chloro-3-(chlorosulfonyl)-5-fluorobenzoic acid is an organic compound characterized by its complex structure, which includes a benzoic acid moiety substituted with chlorine and fluorine atoms, as well as a chlorosulfonyl group. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. Its molecular structure suggests it may exhibit acidic properties due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. The presence of the chlorosulfonyl group indicates potential reactivity, making it useful in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the chlorine and fluorine substituents can influence the compound's electronic properties, stability, and biological activity. Safety precautions should be taken when handling this compound, as it may be hazardous due to its reactive functional groups. Overall, 2-Chloro-3-(chlorosulfonyl)-5-fluorobenzoic acid is a valuable compound in chemical research and industrial applications.

Formula: C₇H₃Cl₂FO₄S

InChI: InChI=1S/C7H3Cl2FO4S/c8-6-4(7(11)12)1-3(10)2-5(6)15(9,13)14/h1-2H,(H,11,12)

InChI key: InChIKey=DXPXTGIHDYFKAB-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-chloro-3-(chlorosulfonyl)-5-fluoro-
• 2-Chloro-3-(chlorosulfonyl)-5-fluorobenzoic acid