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Atomfair 4-Biphenylyl Trifluoromethanesulfonate C13H9F3O3S CAS 17763-78-9

4-Biphenylyl Trifluoromethanesulfonate (CAS No. 17763-78-9) is a high-purity organic compound with the molecular formula C13H9F3O3S , widely used in advanced synthetic chemistry and pharmaceutical research. This compound, also known as (4-phenylphenyl) trifluoromethanesulfonate , serves as a versatile triflate ester intermediate for coupling reactions, palladium-catalyzed cross-coupling, and nucleophilic substitution processes. Its robust stability and reactivity make it ideal for constructing complex biphenyl derivatives and aromatic frameworks. Supplied as a crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency, ensuring optimal performance in sensitive applications. Proper storage under inert conditions is recommended to maintain integrity.

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Description

4-Biphenylyl Trifluoromethanesulfonate (CAS No. 17763-78-9) is a high-purity organic compound with the molecular formula C13H9F3O3S, widely used in advanced synthetic chemistry and pharmaceutical research. This compound, also known as (4-phenylphenyl) trifluoromethanesulfonate, serves as a versatile triflate ester intermediate for coupling reactions, palladium-catalyzed cross-coupling, and nucleophilic substitution processes. Its robust stability and reactivity make it ideal for constructing complex biphenyl derivatives and aromatic frameworks. Supplied as a crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency, ensuring optimal performance in sensitive applications. Proper storage under inert conditions is recommended to maintain integrity.

Properties

  • CAS Number: 17763-78-9
  • Complexity: 400
  • IUPAC Name: (4-phenylphenyl) trifluoromethanesulfonate
  • InChI: InChI=1S/C13H9F3O3S/c14-13(15,16)20(17,18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
  • InChI Key: RJFYGCJTUUXOOF-UHFFFAOYSA-N
  • Exact Mass: 302.02244980
  • Molecular Formula: C13H9F3O3S
  • Molecular Weight: 302.27
  • SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F
  • Topological: 51.8
  • Monoisotopic Mass: 302.02244980
  • Synonyms: 4-Biphenylyl Trifluoromethanesulfonate, 810-984-0, 4-Phenylphenyl triflate, 17763-78-9, (4-phenylphenyl) trifluoromethanesulfonate, Methanesulfonic acid, 1,1,1-trifluoro-, [1,1′-biphenyl]-4-yl ester, 4-Biphenyl triflate, Methanesulfonic acid, trifluoro-, [1,1′-biphenyl]-4-yl ester, MFCD18379753, 4-Phenylphenyltriflate, 4-Biphenylyl Triflate, Trifluoromethanesulfonic acid 4-biphenylyl ester, SCHEMBL5532552, SCHEMBL27722361, DTXSID90454432, RJFYGCJTUUXOOF-UHFFFAOYSA-N, AKOS026672037, DS-10400, B5012, CS-0198997, 1,1′-Biphenyl-4-yl trifluoromethanesulfonate, T70439

Application

4-Biphenylyl Trifluoromethanesulfonate is a key reagent in Suzuki-Miyaura and Stille cross-coupling reactions for synthesizing biaryl scaffolds in drug discovery. It facilitates the introduction of biphenyl groups into organic molecules, enabling the development of ligands and functional materials. Researchers also employ it in electrophilic aromatic substitutions and as a precursor for liquid crystals or OLED materials.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

  • P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (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).

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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.

Liability Release

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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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