Description

4-Cyanophenyl Trifluoromethanesulfonate is a high-value triflate ester intermediate, prized for its excellent leaving group properties in cross-coupling reactions. Its primary commercial value lies in enabling the efficient synthesis of complex biaryl and heteroaryl compounds, which are critical scaffolds in advanced material and pharmaceutical research. This compound is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to build novel molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block in Suzuki-Miyaura, Negishi, and other palladium-catalyzed cross-coupling reactions to form biaryl linkages present in many active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Used in the production of advanced herbicides and fungicides that require specific biphenyl or phenyl-heteroaryl core structures.
• Material Science: Serves as a precursor for organic electronic materials, including ligands for OLEDs and charge-transport molecules, due to the electron-withdrawing cyano and triflate groups.
• Ligand and Catalyst Development: Employed in the synthesis of novel phosphine or N-heterocyclic carbene (NHC) ligands used in homogeneous catalysis.
• Chemical Research: A versatile reagent in academic and industrial R&D for constructing complex organic molecules and exploring new reaction methodologies.

Basic Information

Product Name	4-Cyanophenyl Trifluoromethanesulfonate
CAS No.	66107-32-2
Molecular Formula	C8H4F3NO3S
Molecular Weight	251.18 g/mol
Synonyms	p-Cyanophenyl Triflate; 4-Cyanophenyl Triflate; (4-Cyanophenyl) Trifluoromethanesulfonate; Trifluoromethanesulfonic Acid 4-Cyanophenyl Ester; 4-(Trifluoromethanesulfonyloxy)benzonitrile; 4-Cyanophenyl Trifluoromethylsulfonate; 4-Cyanophenol Triflate
EINECS	Contact for details

Quality Control

Our 4-Cyanophenyl Trifluoromethanesulfonate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR for structural confirmation, and Karl Fischer titration for moisture content, to ensure it meets the high standards required for synthetic applications. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and decomposition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.