Description

4-Fluorophenyl trifluoromethanesulfonate (CAS No. 132993-23-8) is a high-purity fluorinated organic sulfonate ester with the molecular formula C₇H₄F₄O₃S. This compound, also known as 4-Fluorophenyltriflate, is a versatile reagent widely used in organic synthesis, particularly in the introduction of the trifluoromethanesulfonate (triflate) group. Its IUPAC name is (4-fluorophenyl) trifluoromethanesulfonate, and it is characterized by its high reactivity as an electrophile in cross-coupling reactions, such as Suzuki, Stille, and Negishi couplings.

This product is supplied as a clear to pale yellow liquid, stored under inert conditions to ensure stability. It is highly reactive with nucleophiles and must be handled with care under anhydrous conditions. Ideal for researchers and chemists working in pharmaceutical, agrochemical, and materials science applications, this compound is a critical building block for the synthesis of complex fluorinated molecules.

Key synonyms include: 4-Fluorophenyl triflate, (4-fluorophenyl) trifluoromethanesulfonate, and 4-Fluorophenyl trifluoromethanesulphonate.

Properties

• CAS Number: 132993-23-8
• Complexity: 297
• IUPAC Name: (4-fluorophenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H4F4O3S/c8-5-1-3-6(4-2-5)14-15(12,13)7(9,10)11/h1-4H
• InChI Key: FEHSEZUGDOTYAE-UHFFFAOYSA-N
• Exact Mass: 243.98172781
• Molecular Formula: C7H4F4O3S
• Molecular Weight: 244.17
• SMILES: C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)F
• Topological: 51.8
• Monoisotopic Mass: 243.98172781
• Synonyms: 4-Fluorophenyl trifluoromethanesulfonate, 132993-23-8, 4-Fluorophenyltriflate, (4-fluorophenyl) trifluoromethanesulfonate, 4-Fluorophenyl trifluoromethanesulphonate, SCHEMBL776070, MFCD18379778, AKOS038287394, p-fluorophenyl trifluoromethanesulfonate, BS-52709, E83925

Application

4-Fluorophenyl trifluoromethanesulfonate is a key reagent in organic synthesis, particularly for introducing triflate groups in aromatic systems. It is widely used in palladium-catalyzed cross-coupling reactions to form carbon-carbon and carbon-heteroatom bonds. This compound is also valuable in the preparation of fluorinated pharmaceuticals and agrochemicals due to its ability to act as a leaving group in nucleophilic substitution reactions. Its reactivity makes it suitable for constructing complex molecular architectures in medicinal chemistry and materials science.

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