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Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate

  • CAS No. 147531-11-1

  • Cat. No. CS-0049606
  • Purity≥95%
  • MDL No.MFCD12912173

*For research and further manufacturing use only, not for direct human use.

Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate|CS-0049606

Structure of 147531-11-1

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General Information

  • CAS No. 147531-11-1
  • Cat. No. CS-0049606
  • Purity ≥95%
  • MDL No. MFCD12912173
  • Storage 4°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀F₆O₃S₂
  • Molecular Weight 404.35
  • Synonym(s) sulfonium trifluoromethanesulfonate
  • SMILES [O-]S(=O)(=O)C(F)(F)F.FC(F)(F)[S+](C1=CC=CC=C1)C1=CC=CC=C1

Description

Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate delivers a potent electrophilic trifluoromethyl source under mild conditions. This bench-stable sulfonium salt features a highly reactive trifluoromethyl group flanked by two aryl moieties, enabling efficient C–CF₃ bond formation in organic synthesis. Its moisture-tolerant nature simplifies handling, while the triflate counterion enhances solubility and reactivity across diverse reaction media.

Application

Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate serves as a highly effective trifluoromethylating agent in organic synthesis, enabling direct C–H trifluoromethylation under mild conditions. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient incorporation of the CF₃ moiety into aromatic and heteroaromatic systems. The reagent functions reliably in transition-metal-free transformations and is particularly valuable for constructing CF₃-containing scaffolds relevant to pharmaceutical and agrochemical development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P301+P310-P330-P501

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Computational Chemistry Data

  • TPSA   57.2
  • LogP   4.2941
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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