Description

4-Cyanophenyl trifluoromethanesulfonate (CAS No. 66107-32-2) is a high-purity organic sulfonate ester with the molecular formula C₈H₄F₃NO₃S. This compound, also known by its IUPAC name (4-cyanophenyl) trifluoromethanesulfonate, is a versatile reagent widely used in organic synthesis and pharmaceutical research. Its unique trifluoromethanesulfonate (triflate) group makes it an excellent leaving group in nucleophilic substitution reactions, while the cyano group provides additional reactivity for further functionalization.

Our product is rigorously tested to ensure superior quality, with ≥98% purity (HPLC). It is supplied as a white to off-white crystalline solid, packaged under inert conditions to maintain stability. Ideal for use in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, this compound is a valuable building block for synthesizing complex molecules in medicinal chemistry and materials science.

Store in a cool, dry place at 2-8°C, protected from moisture and light. For research use only; not intended for diagnostic or therapeutic applications.

Properties

• CAS Number: 66107-32-2
• Complexity: 381
• IUPAC Name: (4-cyanophenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C8H4F3NO3S/c9-8(10,11)16(13,14)15-7-3-1-6(5-12)2-4-7/h1-4H
• InChI Key: KKETVWGQXANCHL-UHFFFAOYSA-N
• Exact Mass: 250.98639865
• Molecular Formula: C8H4F3NO3S
• Molecular Weight: 251.18
• SMILES: C1=CC(=CC=C1C#N)OS(=O)(=O)C(F)(F)F
• Topological: 75.5
• Monoisotopic Mass: 250.98639865
• Synonyms: 4-Cyanophenyl trifluoromethanesulfonate, 66107-32-2, DTXSID40338612, DTXCID40289695, kketvwgqxanchl-uhfffaoysa-n, (4-cyanophenyl) trifluoromethanesulfonate, 4-cyanophenyl triflate, 4-Cyanophenyltrifluoromethanesulfonate, SCHEMBL5108353, MFCD00973310, AKOS040768586, BS-52712, E83922

Application

4-Cyanophenyl trifluoromethanesulfonate is primarily used as a key intermediate in palladium-catalyzed cross-coupling reactions, enabling the synthesis of biaryl compounds and heterocycles. Its triflate group serves as an excellent electrophile in Suzuki-Miyaura and Negishi couplings, while the cyano moiety allows for further derivatization. This reagent is particularly valuable in pharmaceutical research for constructing drug-like scaffolds and in materials science for creating advanced organic electronic materials. It is also employed in the preparation of liquid crystals and agrochemicals due to its stability and reactivity.

If you are interested or have any questions, please contact us at support@atomfair.com

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