6226-25-1

Basic information

• Product Name: 2,2,2-Trifluoroethyl trifluoromethanesulfonate
• Synonyms: 2,2,2-trifluoroethyltrifluorometanesulfonicacid;methanesulfonicacid,trifluoro-,2,2,2-trifluoroethylester;TRIFLUOROMETHANESULFONIC ACID 2,2,2-TRIFLUOROETHYL ESTER;TFOL-TF;2,2,2-TRIFLUOROETHYL TRIFLATE;2,2,2-TRIFLUOROETHYL TRIFLUOROMETHANESULFONATE;2,2,2-TRIFLUOROETHYL TRIFLUOROMETHANESULPHONATE;2,2,2-Trifluoroethyl trifluoromethanesulphonate 97%
• CAS NO: 6226-25-1
• Molecular Formula: C₃H₂F₆O₃S
• Molecular Weight: 232.1
• EINECS: 458-390-7
• Product Categories: Fluorinated Building Blocks;Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Synthetic Organic Chemistry;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 6226-25-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 89-91°C
• Flash Point: >110°(230°F)
• Appearance: Colorless to yellow/Liquid
• Density: 1,61 g/cm3
• Vapor Pressure: 38.3mmHg at 25°C
• Refractive Index: 1.3037
• Storage Temp.: 2-8°C
• Solubility: Chloroform, Methanol (Slightly)
• Water Solubility: Slightly soluble in water.
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 2,2,2-Trifluoroethyl trifluoromethanesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,2-Trifluoroethyl trifluoromethanesulfonate(6226-25-1)
• EPA Substance Registry System: 2,2,2-Trifluoroethyl trifluoromethanesulfonate(6226-25-1)

Safety Data

• Hazard Codes: Xi,T,C
• Statements: 36/37/38-34-23/25
• Safety Statements: 26-36/37/39-45
• RIDADR: 3265
• WGK Germany: 3
• RTECS: PB2775000
• HazardClass: TOXIC, CORROSIVE
• PackingGroup: Ⅱ
• Hazardous Substances Data: 6226-25-1(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 6226-25-1 differently. You can refer to the following data:
1. A fluorine-containing alkyl alkanesulfonate with cyctotoxity towards cultured leukemia L1210 cells.
2. 2,2,2-Trifluoroethyl trifluoromethanesulfonate is a powerful trifluoroethylating agent which is useful for synthesis of fluorinated amino acids. It is used as a reagent in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines.
3. Reagent used in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines

InChI:InChI=1/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2

Upstream product

• 75-89-8 2,2,2-trifluoroethanol 
• 421-83-0 trifluoromethane sulfonyl chloride 
• 335-05-7 Trifluoromethanesulfonyl fluoride 
• 121-44-8 triethylamine 
• 110-86-1 pyridine 

Downstream Products

• 950509-60-1 (R)-1-(2,2,2-trifluoro-ethyl)-3-(tritylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one 
• 737828-15-8 3-(4-chlorophenyl)-2-(2-chlorophenyl)-7-(2,2,2-trifluoroethoxy)-pyrazolo[1,5-a]pyrimidine 
• 700874-13-1 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2,2,2-trifluoroethoxy)phenyl]quinoline 
• 692058-21-2 4-(2,2,2-trifluoroethyl)piperazin-1-carboxylic acid tert-butyl ester 
• 864427-18-9 2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester 
• 932701-09-2 2-fluoro-1-nitro-4-(2,2,2-trifluoroethoxy)benzene 
• 919278-38-9 4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole 
• 1036934-84-5 4-chloro-5-methoxy-2-(β-trifluoro)ethyl-3(2H)-pyridazinone 
• 14628-57-0 4-chloro-5-methoxy-2-methyl-2H-pyridazin-3-one 
• 1228450-08-5 [1-(2,2,2-Trifluoro-ethyl)-piperidin-3-yl]-carbamic acid tert-butyl ester 
• 1229627-81-9 5-methanesulfonyl-2-(2,2,2-trifluoro-ethoxy)-benzoic acid methyl ester 
• 78622-57-8 (E)-1-nitro-4-(3,3,3-trifluoroprop-1-en-1-yl)benzene 
• 1231192-40-7 6-fluoro-3-[4-(4-iodo-3-methoxy-phenyl)-1,2,3-triazol-1-yl]-1-(2,2,2-trifluoro-ethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one 
• 1231192-27-0 3-[4-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]-6-fluoro-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one 

Relevant articles and documents

METHOD FOR PRODUCTION OF FLUOROALYKYLFLUOROALKANE-SULFONATE

PROBLEM TO BE SOLVED: To provide a method for simply producing, under more moderate condition than heretofore, a fluoroalkylfluoroalkane-sulfonate useful as an intermediate for medicines or agrochemicals and as a reagent for introducing a fluorine-containing group. SOLUTION: The fluoroalkyl fluoroalkane-sulfonate is produced by reacting a perfluoroalkanesulfonyl halide with a fluorine-containing alcohol in the presence of a base. In this case, an organic solvent is not used but water coexists as a solvent. It is particularly preferable that a reaction temperature is ≥-10°C but ≤40°C and water content is ≥0.2 g and ≤5 g per 1 g of the fluorine-containing alcohol. According to this method, for example, 2,2,2-trifluoroethyltrifluoromethane-sulfonate or 2,2,3,3-tetrafluoropropyltrifluoromethane-sulfonate can efficiently be produced, and the discharge amount of waste materials can remarkably be reduced. COPYRIGHT: (C)2006,JPOandNCIPI