Description

4-Bromo-2-chlorophenyl trifluoromethanesulphonate (CAS No. 313510-77-9) is a high-purity organosulfur compound with the molecular formula C₇H₃BrClF₃O₃S. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive triflate group and halogen-substituted aromatic ring. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring optimal performance in cross-coupling reactions, nucleophilic substitutions, and as a key intermediate in agrochemical and drug development. Proper storage under inert conditions (2-8°C) is recommended to maintain stability. Available in research quantities (100mg to 10g) with optional custom synthesis scaling.

Properties

• CAS Number: 313510-77-9
• Complexity: 340
• IUPAC Name: (4-bromo-2-chloro-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(5(9)3-4)15-16(13,14)7(10,11)12/h1-3H
• InChI Key: KAWKXMFOLPMAEB-UHFFFAOYSA-N
• Exact Mass: 337.86269
• Molecular Formula: C7H3BrClF3O3S
• Molecular Weight: 339.51
• SMILES: C1=CC(=C(C=C1Br)Cl)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 337.86269
• Synonyms: 4-bromo-2-chlorophenyl trifluoromethanesulphonate, 313510-77-9, SCHEMBL6139651, (4-bromo-2-chlorophenyl) trifluoromethanesulfonate

Application

This triflate ester serves as a versatile electrophile in Pd-catalyzed Suzuki-Miyaura and Stille cross-coupling reactions for biaryl synthesis. Its electron-withdrawing groups enhance reactivity in nucleophilic aromatic substitutions, making it valuable for constructing complex heterocycles in medicinal chemistry. The compound is particularly useful in developing halogen-rich scaffolds for PET radiotracer candidates and bioactive molecules targeting kinase inhibition.

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