Description

4-(Trifluoromethyl)phenyl trifluoromethanesulfonate (CAS No. 146397-87-7) is a high-purity fluorinated organic compound with the molecular formula C₈H₄F₆O₃S. This specialty chemical serves as a versatile trifluoromethanesulfonate (triflate) ester, widely used in organic synthesis and pharmaceutical research. The compound features a reactive triflate leaving group attached to a 4-(trifluoromethyl)phenyl moiety, making it an excellent electrophile for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for advanced intermediates. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant containers under inert atmosphere to maintain stability. Ideal for researchers developing fluorinated compounds, catalysts, or ligands in medicinal chemistry and material science applications.

Properties

• CAS Number: 146397-87-7
• Complexity: 371
• IUPAC Name: [4-(trifluoromethyl)phenyl] trifluoromethanesulfonate
• InChI: InChI=1S/C8H4F6O3S/c9-7(10,11)5-1-3-6(4-2-5)17-18(15,16)8(12,13)14/h1-4H
• InChI Key: DJHQEXVEXPOXGG-UHFFFAOYSA-N
• Exact Mass: 293.97853413
• Molecular Formula: C8H4F6O3S
• Molecular Weight: 294.17
• SMILES: C1=CC(=CC=C1C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 293.97853413
• Synonyms: 146397-87-7, 4-(trifluoromethyl)phenyl trifluoromethanesulfonate, DTXSID30441866, DTXCID30392687, 4-(Trifluoromethyl)phenyl trifluoromethanesulphonate, Methanesulfonic acid, 1,1,1-trifluoro-, 4-(trifluoromethyl)phenyl ester, [4-(trifluoromethyl)phenyl] trifluoromethanesulfonate, p-(Trifluoromethyl)phenyl Triflate, MFCD07784330, SCHEMBL408478, AKOS040767392, BS-52717, E83923, A808502, [4-(trifluoromethyl)phenyl] tris(fluoranyl)methanesulfonate, trifluoromethanesulfonic acid [4-(trifluoromethyl)phenyl] ester

Application

4-(Trifluoromethyl)phenyl trifluoromethanesulfonate is primarily employed as a key reagent in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck, or Stille couplings) due to its excellent leaving group properties. It serves as a building block for synthesizing trifluoromethyl-substituted biaryls, which are valuable in pharmaceutical and agrochemical research. The compound is also utilized in the preparation of liquid crystals and advanced materials where fluorinated aromatic systems are required.

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