Description

2,3,4,5,6-Pentafluorophenyl 2-(Trifluoromethyl)Benzenesulphonate is a high-value, multi-fluorinated sulfonate ester, a critical building block in advanced organic synthesis. Its unique structure, featuring both a perfluorinated phenyl ring and a trifluoromethylbenzenesulfonyl group, makes it an exceptionally effective and selective reagent for introducing sulfonate protecting groups or acting as an electrophile in cross-coupling reactions under mild conditions. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries developing novel active ingredients, particularly where enhanced metabolic stability and lipophilicity are desired.

Application

• Pharmaceutical Intermediate: Key reagent in the synthesis of complex drug candidates, especially for introducing sulfonate esters that serve as protective groups or as precursors for further functionalization.
• Agrochemical Synthesis: Used in creating advanced herbicides, fungicides, and insecticides where the fluorine atoms contribute to biological activity and environmental stability.
• Material Science Precursor: Serves as a monomer or building block for synthesizing specialty polymers and advanced materials with unique surface properties or chemical resistance.
• Cross-Coupling Reactions: Acts as an efficient electrophilic partner in Pd-catalyzed cross-coupling reactions (e.g., Suzuki, Negishi) to form biaryl systems, a common motif in medicinal chemistry.
• Protecting Group Chemistry: Employed to install robust sulfonate protecting groups on alcohols and phenols, which can be selectively removed under specific conditions.
• Fluorine Chemistry Research: A valuable tool for academic and industrial R&D focused on organofluorine chemistry and the development of new fluorination methodologies.

Basic Information

Item	Details
Product Name	2,3,4,5,6-Pentafluorophenyl 2-(Trifluoromethyl)Benzenesulphonate
CAS No.	886361-24-6
Molecular Formula	C₁₃H₄F₈O₃S
Molecular Weight	392.22 g/mol
Synonyms	2-(Trifluoromethyl)benzenesulfonic Acid 2,3,4,5,6-Pentafluorophenyl Ester; α,α,α-Trifluoro-o-toluenesulfonic Acid Pentafluorophenyl Ester; o-(Trifluoromethyl)benzenesulfonyl Pentafluorophenyl Ester; Pentafluorophenyl 2-(Trifluoromethyl)benzenesulfonate; 2,3,4,5,6-Pentafluorophenyl 2-(Trifluoromethyl)benzenesulfonate
EINECS	Contact for details

Quality Control

Every batch of 2,3,4,5,6-Pentafluorophenyl 2-(Trifluoromethyl)Benzenesulphonate is manufactured and tested under a strict quality management system. We ensure high purity and lot-to-lot consistency through advanced analytical techniques including HPLC, GC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your regulatory and R&D requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The container should be kept tightly sealed in a dry environment to minimize exposure to atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.