1197209-25-8

Basic information

• Product Name: trifluoromethyl benzenesulfonate
• CAS NO: 1197209-25-8
• Molecular Weight: 226.176
• Mol File: 1197209-25-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 218.8±40.0 °C(Predicted)
• Density: 1.468±0.06 g/cm3(Predicted)
• CAS DataBase Reference: trifluoromethyl benzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: trifluoromethyl benzenesulfonate(1197209-25-8)
• EPA Substance Registry System: trifluoromethyl benzenesulfonate(1197209-25-8)

Safety Data

• Hazardous Substances Data: 1197209-25-8(Hazardous Substances Data)

Usage

General Description

Trifluoromethyl benzenesulfonate is a chemical compound with the formula C7H4F3O3S. It is a white to light brown solid that is soluble in solvents such as methanol and water. Trifluoromethyl benzenesulfonate is commonly used as a mild and selective electrophilic trifluoromethylation reagent in organic synthesis. It reacts easily with nucleophiles, making it a versatile compound in the field of medicinal chemistry and agrochemicals for introducing trifluoromethyl groups into various molecules. Trifluoromethyl benzenesulfonate is also known for its ability to facilitate the formation of carbon-carbon and carbon-heteroatom bonds, making it a valuable tool for chemists in the development of new compounds with potentially useful properties.

Upstream product

• 887144-94-7 Togni's reagent II 
• 98-11-3 benzenesulfonic acid 

Relevant articles and documents

Trifluoromethyl Nonaflate: A Practical Trifluoromethoxylating Reagent and its Application to the Regio- and Stereoselective Synthesis of Trifluoromethoxylated Alkenes

The trifluoromethoxy group has elicited much interest among drug and agrochemical discovery teams because of its unique properties. We developed trifluoromethyl nonafluorobutanesulfonate (nonaflate), TFNf, an easy-to-handle, bench-stable, reactive, and scalable trifluoromethoxylating reagent. TFNf is easily and safely prepared in a simple process in large scale and the nonaflyl part of TFNf can easily be recovered as nonaflyl fluoride after usage and recycled. The synthetic potency of TFNf was showcased with the underexplored synthesis of various trifluoromethoxylated alkenes, through a high regio- and stereoselective hydro(halo)trifluoromethoxylation of alkyne derivatives such as haloalkynes, alkynyl esters, and alkynyl sulfones. The synthetic merits of TFNf were further underscored with a high-yielding and smooth nucleophilic trifluoromethoxylation of alkyl triflates/bromides and primary/secondary alcohols.