Description

2-Fluoro-5-chlorosulfonylbenzoic acid (CAS No. 37098-75-2) is a high-purity, fluorinated benzoic acid derivative with the molecular formula C₇H₄ClFO₄S. This compound features a chlorosulfonyl (-SO₂Cl) and a carboxylic acid (-COOH) group on a fluorinated benzene ring, making it a versatile intermediate for organic synthesis and pharmaceutical applications. Its IUPAC name is 5-chlorosulfonyl-2-fluorobenzoic acid, and it is available in various packaging options to suit laboratory and industrial-scale needs. Suitable for researchers and scientists, this reagent is rigorously tested for quality, ensuring optimal performance in synthetic workflows. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 37098-75-2
• Complexity: 323
• IUPAC Name: 5-chlorosulfonyl-2-fluoro-benzoic acid
• InChI: InChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
• InChI Key: CISMZCVQNVNWJW-UHFFFAOYSA-N
• Exact Mass: 237.9502856
• Molecular Formula: C7H4ClFO4S
• Molecular Weight: 238.62
• SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)F
• Topological: 79.8
• Monoisotopic Mass: 237.9502856
• Synonyms: 2-fluoro-5-chlorosulfonylbenzoic acid, 630-167-0, 5-(chlorosulfonyl)-2-fluorobenzoic acid, 37098-75-2, 5-chlorosulfonyl-2-fluorobenzoic acid, 2-Fluoro-5-(chlorosulfonyl)benzoic acid, 5-Chlorosulfonyl-2-fluoro-benzoic acid, 5-(Chlorosulphonyl)-2-fluorobenzoic acid, MFCD03030335, BENZOIC ACID, 5-(CHLOROSULFONYL)-2-FLUORO-, 5-(Chlorosulfonyl)-2-fluorobenzoicacid, SCHEMBL572815, DTXSID20346038, CS-B0676, SBB078627, 5-chlorosulphonyl-2-fluorobenzoic acid, AKOS000365631, AB13005, AS-18860, SY101589, DB-003897, EN300-09860, S10656, 5-(chlorosulfonyl)-2-fluorobenzoic acid, AldrichCPR, Z57008866, F0001-1064

Application

2-Fluoro-5-chlorosulfonylbenzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive chlorosulfonyl group enables facile derivatization, making it valuable for constructing sulfonamide-based compounds. Researchers also employ it in the development of fluorinated aromatic scaffolds for drug discovery and material science applications. Its unique structure allows for further functionalization, enhancing its utility in cross-coupling and nucleophilic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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