Description

m-Fluorophenyl trifluoromethanesulfonate (CAS No. 57606-65-2) is a high-purity fluorinated sulfonate ester with the molecular formula C₇H₄F₄O₃S. This specialized reagent is widely used in organic synthesis, particularly in the introduction of the trifluoromethanesulfonate (triflate) group to aromatic systems. The compound features a fluorophenyl moiety, enhancing its reactivity in cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. Its superior leaving group properties make it invaluable in palladium-catalyzed transformations. Supplied in rigorously controlled conditions, our product guarantees ≥98% purity (GC) and is packaged under inert gas to ensure stability and longevity. Ideal for pharmaceutical intermediates, agrochemical research, and advanced material science applications.

Properties

• CAS Number: 57606-65-2
• Complexity: 305
• IUPAC Name: (3-fluorophenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H4F4O3S/c8-5-2-1-3-6(4-5)14-15(12,13)7(9,10)11/h1-4H
• InChI Key: LKAKRVBLXMUOHC-UHFFFAOYSA-N
• Exact Mass: 243.98172781
• Molecular Formula: C7H4F4O3S
• Molecular Weight: 244.17
• SMILES: C1=CC(=CC(=C1)F)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 243.98172781
• Synonyms: m-Fluorophenyl trifluoromethanesulfonate, 57606-65-2, DTXSID70338665, DTXCID10289748, lkakrvblxmuohc-uhfffaoysa-n, 3-Fluorophenyl trifluoromethanesulphonate, 3-Fluorophenyl trifluoromethanesulfonate, (3-fluorophenyl) trifluoromethanesulfonate, SCHEMBL778690, MFCD18974275, AKOS038287393, 3-Fluorophenyl trifluoromethanesulfonate #, BS-52720, DB-298084, F71604

Application

m-Fluorophenyl trifluoromethanesulfonate serves as a key electrophile in transition metal-catalyzed cross-coupling reactions, enabling the synthesis of complex fluorinated biaryl structures. It is particularly useful in pharmaceutical research for creating fluorinated analogs of drug candidates. The compound’s triflate group also facilitates nucleophilic aromatic substitution reactions in agrochemical development. Its stability under anhydrous conditions makes it suitable for high-throughput screening in medicinal chemistry.

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