Description

3-(Chlorosulfonyl)-4-fluorobenzoic acid (CAS No. 2267-40-5) is a high-purity, specialty organic compound with the molecular formula C₇H₄ClFO₄S. This fluorinated benzoic acid derivative features both a chlorosulfonyl (-SO₂Cl) and carboxylic acid (-COOH) functional group, making it a versatile intermediate for advanced synthetic applications. Its IUPAC name is 3-chlorosulfonyl-4-fluorobenzoic acid, and it is characterized by its white to off-white crystalline appearance.

This compound is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and is supplied in sealed, light-resistant containers to ensure stability. Ideal for use in pharmaceutical research, agrochemical development, and materials science, it serves as a key building block for sulfonamide formation, peptide coupling, and other electrophilic aromatic substitution reactions. Storage recommendations include refrigeration (2-8°C) under inert atmosphere for extended shelf life.

Properties

• CAS Number: 2267-40-5
• Complexity: 323
• IUPAC Name: 3-chlorosulfonyl-4-fluoro-benzoic acid
• InChI: InChI=1S/C7H4ClFO4S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3H,(H,10,11)
• InChI Key: LZGZJLJZSAGDKR-UHFFFAOYSA-N
• Exact Mass: 237.9502856
• Molecular Formula: C7H4ClFO4S
• Molecular Weight: 238.62
• SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)F
• Topological: 79.8
• Monoisotopic Mass: 237.9502856
• Synonyms: 2267-40-5, 3-(chlorosulfonyl)-4-fluorobenzoic acid, DTXSID70398027, DTXCID30348886, 676-279-3, 3-chlorosulfonyl-4-fluoro-benzoic Acid, 3-chlorosulfonyl-4-fluorobenzoic acid, MFCD03030336, BENZOIC ACID, 3-(CHLOROSULFONYL)-4-FLUORO-, SCHEMBL940353, LZGZJLJZSAGDKR-UHFFFAOYSA-N, ALBB-020719, SBB078422, STL227124, 4-fluoro-3-chlorosulfonylbenzoic acid, AKOS001037712, 3-(chlorosulfonyl)-4-fluorobenzoicacid, 3-Chlorosulfonyl-4-fluoro benzoic acid, AB13008, AS-14121, SY065782, Benzoic acid,3-(chlorosulfonyl)-4-fluoro-, CS-0038682, ST45241833, EN300-01833, 3-chlorosulfonyl-4-fluoro-benzoic acid, AldrichCPR, Z57000634

Application

3-(Chlorosulfonyl)-4-fluorobenzoic acid is primarily employed as a reactive intermediate in the synthesis of sulfonamide-based pharmaceuticals, including protease inhibitors and antibacterial agents. Its dual functionality allows for sequential derivatization, enabling the construction of complex molecules in medicinal chemistry. Researchers also utilize it to develop fluorinated liquid crystals and specialty polymers with tailored electronic properties. In agrochemical research, it serves as a precursor for sulfonylurea herbicides.

Safety and Hazards

GHS Hazard Statements

• H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (40%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (20%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (60%)
• Skin Corr. 1B (40%)
• Skin Irrit. 2 (60%)
• Eye Dam. 1 (20%)
• Eye Irrit. 2 (60%)
• STOT SE 3 (80%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.