52201-00-0

Basic information

• Product Name: 2-(Trifluoromethyl)benzenesulfonyl fluoride
• Synonyms: 2-(Trifluoromethyl)benzenesulfonyl fluoride;2-(Trifluoromethyl)benzenesulfonyl fluoride 97%
• CAS NO: 52201-00-0
• Molecular Formula: C₇H₄F₄O₂S
• Molecular Weight: 228.1640728
• Mol File: 52201-00-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 25-30°C
• Appearance: /
• CAS DataBase Reference: 2-(Trifluoromethyl)benzenesulfonyl fluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(Trifluoromethyl)benzenesulfonyl fluoride(52201-00-0)
• EPA Substance Registry System: 2-(Trifluoromethyl)benzenesulfonyl fluoride(52201-00-0)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3261 8 / PGII
• WGK Germany: 3
• Hazardous Substances Data: 52201-00-0(Hazardous Substances Data)

Usage

Physical form

White crystalline compound

Uses

Building block in organic synthesis, pharmaceutical manufacturing, reagent for introducing trifluoromethylsulfonyl group, precursor for synthesis of functional materials

Chemical properties

Strong electrophilic properties, valuable in the development of medicinal compounds and agrochemicals, unique chemical properties.

Upstream product

• 776-04-5 2-trifluoromethylbenzenesulfonyl chloride 

Relevant articles and documents

SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase

Sulfur fluoride exchange (SuFEx) has emerged as the new generation of click chemistry. We report here a SuFEx-enabled, agnostic approach for the discovery and optimization of covalent inhibitors of human neutrophil elastase (hNE). Evaluation of our ever-growing collection of SuFExable compounds toward various biological assays unexpectedly revealed a selective and covalent hNE inhibitor: benzene-1,2-disulfonyl fluoride. Synthetic derivatization of the initial hit led to a more potent agent, 2-(fluorosulfonyl)phenyl fluorosulfate with IC50 0.24 μM and greater than 833-fold selectivity over the homologous neutrophil serine protease, cathepsin G. The optimized, yet simple benzenoid probe only modified active hNE and not its denatured form.