Description

[4-[4-(Trifluoromethylsulfonyloxy)phenyl]phenyl] trifluoromethanesulfonate (CAS No. 112752-02-0) is a high-purity organic compound with the molecular formula C₁₄H₈F₆O₆S₂. This specialized chemical features a bis(trifluoromethanesulfonate) functional group attached to a biphenyl backbone, making it a valuable reagent for advanced organic synthesis and material science applications. The compound is characterized by its excellent thermal stability and reactivity as a triflate donor in cross-coupling reactions. Available in research quantities with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC purity), this product is ideal for pharmaceutical intermediates, liquid crystal materials, and polymer chemistry. Strict quality control ensures batch-to-batch consistency for reliable experimental results.

Properties

• CAS Number: 112752-02-0
• Complexity: 654
• IUPAC Name: [4-[4-(trifluoromethylsulfonyloxy)phenyl]phenyl] trifluoromethanesulfonate
• InChI: InChI=1S/C14H8F6O6S2/c15-13(16,17)27(21,22)25-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26-28(23,24)14(18,19)20/h1-8H
• InChI Key: QOGGVQWGZDAVFU-UHFFFAOYSA-N
• Exact Mass: 449.96664929
• Molecular Formula: C14H8F6O6S2
• Molecular Weight: 450.3
• SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Topological: 104
• Monoisotopic Mass: 449.96664929
• Synonyms: 112752-02-0, [4-[4-(trifluoromethylsulfonyloxy)phenyl]phenyl] trifluoromethanesulfonate, SCHEMBL1713465, DTXSID70400215, QOGGVQWGZDAVFU-UHFFFAOYSA-N

Application

This compound serves as a versatile triflate transfer agent in palladium-catalyzed cross-coupling reactions for constructing complex biaryl systems. It finds particular utility in synthesizing advanced materials for optoelectronic applications due to its electron-withdrawing triflate groups. Researchers also employ it as a precursor for liquid crystal displays (LCDs) and high-performance polymers requiring thermal and chemical stability.

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