Description

Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate (CAS No. 147531-11-1) is a high-purity sulfonium-based ionic compound with the molecular formula C₁₄H₁₀F₆O₃S₂. This specialized reagent is widely utilized in organic synthesis, particularly as a potent electrophilic trifluoromethylating agent and catalyst in fluorination reactions. Its unique structure, featuring a trifluoromethylsulfonium cation paired with a trifluoromethanesulfonate (triflate) anion, provides exceptional reactivity in C–CF₃ bond formation. The compound is supplied as a crystalline solid with >98% purity (HPLC), rigorously tested for consistency in research applications. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Key applications include:

• Trifluoromethylation of aromatic and heteroaromatic compounds
• Electrophilic activation in fluoroorganic chemistry
• Lewis acid catalyst in asymmetric synthesis

Available in convenient packaging options from 1g to 100g, sealed under argon to ensure product integrity. SDS and analytical certificates provided with every order.

Properties

• CAS Number: 147531-11-1
• Complexity: 354
• IUPAC Name: diphenyl(trifluoromethyl)sulfonium;trifluoromethanesulfonate
• InChI: InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
• InChI Key: YHEBUXDOUNWVNZ-UHFFFAOYSA-M
• Exact Mass: 403.99755550
• Molecular Formula: C14H10F6O3S2
• Molecular Weight: 404.4
• SMILES: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
• Topological: 66.6
• Monoisotopic Mass: 403.99755550
• Synonyms: 147531-11-1, diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate, DTXSID60593403, DTXCID10544167, DIPHENYL(TRIFLUOROMETHYL)SULFONIUM TRIFLUOROMETHANESULFONATE, Sulfonium, diphenyl(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1), diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonate, MFCD12912173, Diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate, Diphenyltrifluoromethylsulfonium Triflate, SCHEMBL6708430, Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonat, C14H10F6O3S2, AKOS005063343, DS-7584, SB22073, SY017427, CS-0049606, diphenyl(trifluoromethyl)sulfanium,trifluoromethanesulfonate, Diphenyl(trifluoromethyl)sulfonium; trifluoromethanesulfonate, S-(Trifluoromethyl)diphenylsulfonium trifluoromethanesulfonate, DIPHENYL(TRIFLUOROMETHYL)SULFONIUMTRIFLUOROMETHANESULFONATE

Application

This reagent serves as an efficient trifluoromethyl source in pharmaceutical intermediate synthesis, enabling introduction of CF₃ groups to enhance metabolic stability of drug candidates. It demonstrates superior reactivity in Pd-catalyzed cross-coupling reactions compared to conventional trifluoromethylating agents. The compound’s strong electrophilic character makes it valuable for constructing fluorinated scaffolds in agrochemical research. Specialized applications include surface modification of materials via fluorination and preparation of fluorinated liquid crystals for display technologies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.