Description

4-Bromophenyl trifluoromethanesulfonate (CAS No. 66107-30-0) is a high-purity, organobromine compound with the molecular formula C₇H₄BrF₃O₃S. This versatile reagent is widely used in organic synthesis, particularly as an electrophilic arylating agent or as a precursor for cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. The compound features a trifluoromethanesulfonate (triflate) group, which serves as an excellent leaving group, enhancing its reactivity in nucleophilic substitution reactions. Its 4-bromophenyl moiety further allows for additional functionalization, making it a valuable intermediate in pharmaceutical, agrochemical, and materials science research. Supplied as a crystalline solid, it is stored under inert conditions to ensure stability and longevity.

Our product undergoes rigorous QC testing, including HPLC, NMR, and mass spectrometry, to guarantee ≥98% purity, meeting the stringent demands of research laboratories and industrial applications. Available in scalable quantities with customizable packaging options.

Properties

• CAS Number: 66107-30-0
• Complexity: 300
• IUPAC Name: (4-bromophenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H4BrF3O3S/c8-5-1-3-6(4-2-5)14-15(12,13)7(9,10)11/h1-4H
• InChI Key: UNYUEWLAYXLXHK-UHFFFAOYSA-N
• Exact Mass: 303.90166
• Molecular Formula: C7H4BrF3O3S
• Molecular Weight: 305.07
• SMILES: C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)Br
• Topological: 51.8
• Monoisotopic Mass: 303.90166
• Synonyms: 4-Bromophenyl trifluoromethanesulfonate, 66107-30-0, 4-Bromophenyltriflate, 4-Bromophenyl triflate, (4-bromophenyl) trifluoromethanesulfonate, 4-Bromophenyl trifluoromethanesulphonate, MFCD07784325, SCHEMBL1133421, DTXSID20926298, 4-bromophenyltrifluoromethanesulfonate, AKOS016846052, BS-49439, CS-0322706, E83924

Application

4-Bromophenyl trifluoromethanesulfonate is a key reagent in palladium-catalyzed cross-coupling reactions, enabling the synthesis of biaryl compounds for drug discovery. It is also employed in nucleophilic aromatic substitution reactions to introduce aryl groups into complex molecules. Researchers utilize this compound in the development of liquid crystals, OLED materials, and pharmaceutical intermediates due to its robust reactivity and versatility.

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