Description

3-Bromo-4-fluorobenzene-1-sulfonyl chloride (CAS No. 631912-19-1) is a highly reactive and versatile sulfonyl chloride derivative with the molecular formula C₆H₃BrClFO₂S. This organosulfur compound is widely utilized in organic synthesis, particularly as a key intermediate in the preparation of sulfonamides, sulfonate esters, and other functionalized aromatic compounds. Its unique structure, featuring both bromo and fluoro substituents on the benzene ring, enhances its utility in cross-coupling reactions, nucleophilic substitutions, and as a building block in pharmaceutical and agrochemical research. The compound is supplied as a high-purity solid with excellent shelf stability when stored under recommended conditions (dry, cool, and away from moisture). Suitable for use in research laboratories, this reagent is ideal for scientists exploring novel synthetic pathways or developing bioactive molecules.

Properties

• CAS Number: 631912-19-1
• Complexity: 251
• IUPAC Name: 3-bromo-4-fluoro-benzenesulfonyl chloride
• InChI: InChI=1S/C6H3BrClFO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H
• InChI Key: BEEHKBVVTWJSRH-UHFFFAOYSA-N
• Exact Mass: 271.87097
• Molecular Formula: C6H3BrClFO2S
• Molecular Weight: 273.51
• SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)Br)F
• Topological: 42.5
• Monoisotopic Mass: 271.87097
• Synonyms: 631912-19-1, 3-Bromo-4-fluorobenzene-1-sulfonyl chloride, 3-Bromo-4-fluorobenzenesulfonyl chloride, MFCD13185363, SCHEMBL5839980, DTXSID80619457, BEEHKBVVTWJSRH-UHFFFAOYSA-N, AKOS015151107, CS-W005732, PB43196, 4-fluoro-5-bromobenzenesulfonyl chloride, 3-Bromo-4-fluoro-benzenesulfonyl chloride, 3-Bromo-4-fluorobenzenesulphonyl chloride, AS-18027, SY042918, 3-Bromo-4-fluorobenzene-1-sulfonylchloride, DB-315195, EN300-95988

Application

3-Bromo-4-fluorobenzene-1-sulfonyl chloride is primarily employed as a sulfonylation reagent in organic synthesis, enabling the introduction of the sulfonyl chloride group into target molecules. It serves as a critical intermediate in the synthesis of sulfonamide-based pharmaceuticals, agrochemicals, and specialty chemicals. Researchers also utilize this compound in Suzuki-Miyaura and other cross-coupling reactions due to its reactive bromo substituent. Its applications extend to materials science, where it is used to modify polymer backbones or create functionalized aromatic systems.

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