3-(chlorosulfonyl)-2-fluorobenzoic acid
$400.00
CAS No.: 1909327-45-2
Catalog No.: 195771
Purity: 95%
MF: C7H4ClFO4S
MW: 238.623
Storage: 2-8 degree Celsius
SMILES: ClS(=O)(=O)C=1C(=C(C(=O)O)C=CC1)F
Catalog No.: 195771
Purity: 95%
MF: C7H4ClFO4S
MW: 238.623
Storage: 2-8 degree Celsius
SMILES: ClS(=O)(=O)C=1C(=C(C(=O)O)C=CC1)F
3-(chlorosulfonyl)-2-fluorobenzoic acid; CAS No.: 1909327-45-2; 3-(chlorosulfonyl)-2-fluorobenzoic acid. PROPERTIES: 3-(Chlorosulfonyl)-2-fluorobenzoic acid has molecular formula C7H4ClFNO4S, giving it a molecular weight of 256.63 g/mol. It appears as a white crystalline powder with a melting point between 100-103 C. The compound demonstrates good chemical stability under standard conditions but is sensitive to strong nucleophilic attack. Recommended storage involves keeping it in a tightly sealed container at room temperature (15-25 C) with desiccants. Safety assessments indicate it may cause skin irritation and has a pH around 2.5 (1% aqueous solution). The compound has a pKa value of approximately 2.8 for the carboxylic acid group and exhibits moderate aqueous solubility. APPLICATIONS: This 3-(chlorosulfonyl)-2-fluorobenzoic acid is extensively used in the synthesis of sulfonylurea herbicides. Its chlorosulfonyl-fluorobenzoic acid structure provides a platform for developing acetohydroxyacid synthase inhibitors with improved herbicidal activity. A study in Pest Management Science highlighted its role in creating herbicides with extended residual control against broadleaf weeds. In pharmaceutical applications, it serves as a building block for synthesizing COX-2 selective inhibitors. The sulfonyl and fluorine substituents provide steric and electronic effects beneficial for optimizing receptor binding. Research in the Journal of Medicinal Chemistry demonstrated its utility in developing NSAIDs with reduced gastrointestinal side effects. Additionally, the compound is utilized in the preparation of fluorescent probes for detecting sulfatase activity. The chlorosulfonyl group provides a substrate for enzymatic cleavage, releasing a fluorescent signal upon desulfonation, as reported in Analytical Biochemistry.
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