Description
3-Bromo-2,4,6-trifluoro-benzenesulfonyl chloride (CAS No. 2154410-88-3) is a high-purity, specialized organosulfur compound with the molecular formula C6HBrClF3O2S. This reactive sulfonyl chloride derivative features a bromo and three fluoro substituents on the benzene ring, making it a valuable intermediate for advanced organic synthesis and pharmaceutical research. Its unique halogenated structure enhances electrophilic reactivity, enabling efficient sulfonylation reactions. The compound is supplied as a crystalline solid with >95% purity (HPLC) and is rigorously tested for consistency. Store under inert conditions at 2-8°C to maintain stability. Ideal for use in cross-coupling reactions, ligand synthesis, and as a building block for bioactive molecules.
Properties
- CAS Number: 2154410-88-3
- Complexity: 307
- IUPAC Name: 3-bromo-2,4,6-trifluoro-benzenesulfonyl chloride
- InChI: InChI=1S/C6HBrClF3O2S/c7-4-2(9)1-3(10)6(5(4)11)14(8,12)13/h1H
- InChI Key: MFYBTMZFHCBXPD-UHFFFAOYSA-N
- Exact Mass: 307.85213
- Molecular Formula: C6HBrClF3O2S
- Molecular Weight: 309.49
- SMILES: C1=C(C(=C(C(=C1F)Br)F)S(=O)(=O)Cl)F
- Topological: 42.5
- Monoisotopic Mass: 307.85213
- Synonyms: 2154410-88-3, 3-bromo-2,4,6-trifluoro-benzenesulfonyl chloride, 3-Bromo-2,4,6-trifluorobenzenesulfonyl chloride, MFCD32659904, SCHEMBL19613260, PS-17811, SY322715, E83441, 3-Bromo-2,4,6-trifluorobenzene-1-sulfonyl chloride
Application
3-Bromo-2,4,6-trifluoro-benzenesulfonyl chloride serves as a key precursor in the synthesis of sulfonamide-based pharmaceuticals and agrochemicals. Its electron-deficient aromatic ring facilitates nucleophilic aromatic substitution (SNAr) reactions for creating heterocyclic compounds. Researchers utilize this compound to develop PET radiotracers due to the fluorine atoms’ isotopic labeling potential. The sulfonyl chloride moiety enables facile conversion to sulfonamides or sulfonate esters for drug discovery applications.
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