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Atomfair Catechol Bis(trifluoromethanesulfonate) C8H4F6O6S2 CAS 17763-91-6

Catechol Bis(trifluoromethanesulfonate) (CAS No. 17763-91-6) is a high-purity, organosulfur compound with the molecular formula C8H4F6O6S2. This specialized reagent features two trifluoromethanesulfonate (triflate) groups bonded to a catechol (1,2-dihydroxybenzene) backbone, making it a versatile intermediate in organic synthesis and catalysis. With an IUPAC name of [2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate , this compound is particularly valued for its strong electron-withdrawing properties and ability to act as a leaving group in nucleophilic substitution reactions. It is supplied as a crystalline solid with >98% purity (HPLC), packaged under inert gas to ensure stability. Ideal for researchers in pharmaceutical chemistry, materials science, and advanced organic synthesis.

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Description

Catechol Bis(trifluoromethanesulfonate) (CAS No. 17763-91-6) is a high-purity, organosulfur compound with the molecular formula C8H4F6O6S2. This specialized reagent features two trifluoromethanesulfonate (triflate) groups bonded to a catechol (1,2-dihydroxybenzene) backbone, making it a versatile intermediate in organic synthesis and catalysis. With an IUPAC name of [2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate, this compound is particularly valued for its strong electron-withdrawing properties and ability to act as a leaving group in nucleophilic substitution reactions. It is supplied as a crystalline solid with >98% purity (HPLC), packaged under inert gas to ensure stability. Ideal for researchers in pharmaceutical chemistry, materials science, and advanced organic synthesis.

Properties

  • CAS Number: 17763-91-6
  • Complexity: 527
  • IUPAC Name: [2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
  • InChI: InChI=1S/C8H4F6O6S2/c9-7(10,11)21(15,16)19-5-3-1-2-4-6(5)20-22(17,18)8(12,13)14/h1-4H
  • InChI Key: XISAIQHXAICQIV-UHFFFAOYSA-N
  • Exact Mass: 373.93534916
  • Molecular Formula: C8H4F6O6S2
  • Molecular Weight: 374.2
  • SMILES: C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
  • Topological: 104
  • Monoisotopic Mass: 373.93534916
  • Synonyms: Catechol bis(trifluoromethanesulfonate), 17763-91-6, 634-021-7, Methanesulfonic acid, 1,1,1-trifluoro-, 1,1′-(1,2-phenylene) ester, [2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate, Methanesulfonic acid,1,1,1-trifluoro-, 1,1′-(1,2-phenylene) ester, Catechol Ditriflate, CatecholBis(trifluoromethanesulfonate), MFCD00274274, CATECHOL BIS(TRIFLUOROMETHANESULFONATE),98%, SCHEMBL1712875, SCHEMBL8034327, XISAIQHXAICQIV-UHFFFAOYSA-N, AKOS015889215, phenylene bis(trifluoromethanesulfonate), BS-43927, DB-230085, C2809, Catechol bis(trifluoromethanesulfonate), 98%, CS-0182180

Application

Catechol Bis(trifluoromethanesulfonate) serves as a key triflating agent for phenolic compounds in pharmaceutical intermediates. It is widely used in Suzuki-Miyaura cross-coupling reactions to create biaryl structures. The compound also finds application as a precursor for polymer-bound catalysts and in the synthesis of fluorinated organic materials.

Safety and Hazards

GHS Hazard Statements

  • H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

  • P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

  • Skin Corr. 1B (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.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

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  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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