777-44-6

Basic information

• Product Name: 3-(Trifluoromethyl)benzenesulfonyl chloride
• Synonyms: 3-(trifluoromethyl)benzenesulfonyl chloride(SALTDATA: FREE);3-(Chlorosulphonyl)benzotrifluoride;3-(TrifluoroMethyl)benzenesulfonyl chloride, 95% 5GR;BENZENESULFONYL CHLORIDE, 3-(TRIFLUOROMETHYL)-;ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-3-SULFONYL CHLORIDE;3-(TRIFLUOROMETHYL)BENZENE-1-SULFONYL CHLORIDE;3-TRIFLUOROMETHYLBENZENESULFOCHLORIDE;3-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE
• CAS NO: 777-44-6
• Molecular Formula: C₇H₄ClF₃O₂S
• Molecular Weight: 244.62
• EINECS: -0
• Product Categories: Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds;Fluorobenzene;Benzenesulfonyl chloride;Miscellaneous;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds
• Mol File: 777-44-6.mol
• Article Data: 11

Chemical Properties

• Melting Point: 90-92 °C
• Boiling Point: 88-90 °C6 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Clear pale yellow to brown/Liquid
• Density: 1.526 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.501mmHg at 25°C
• Refractive Index: n20/D 1.485(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive: Moisture Sensitive
• BRN: 2650774
• CAS DataBase Reference: 3-(Trifluoromethyl)benzenesulfonyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Trifluoromethyl)benzenesulfonyl chloride(777-44-6)
• EPA Substance Registry System: 3-(Trifluoromethyl)benzenesulfonyl chloride(777-44-6)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-25
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• F: 10-21
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 777-44-6(Hazardous Substances Data)

Usage

Chemical Properties

clear pale yellow to brown liquid

InChI:InChI=1/C9H9F3S/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Upstream product

• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 937-00-8 3-trifluoromethyl-thiophenol 
• 2251-27-6 1-(benzylsulfanyl)-3-(trifluoromethyl)benzene 
• 98-16-8 3-trifluoromethylaniline 

Downstream Products

• 67475-23-4 N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-trifluoromethyl-benzenesulfonamide 
• 67475-42-7 N-(5-butyl-[1,3,4]thiadiazol-2-yl)-3-trifluoromethyl-benzenesulfonamide 
• 115562-39-5 3'-(2'-amino)pyridyl 3-(trifluoromethyl)benzenesulfonate 
• 216502-86-2 (S)-3-(4-Methoxy-3-nitro-phenyl)-2-(3-trifluoromethyl-benzenesulfonylamino)-propionic acid tert-butyl ester 
• 85845-02-9 (3-trifluoromethyl-benzenesulfonylamino)-acetic acid 
• 270073-05-7 (S)-3-Methyl-2-(3-trifluoromethyl-benzenesulfonylamino)-butyric acid 
• 232918-69-3 3-[4-(2-methoxycarbonyl-ethyl)-benzoylamino]-2-(3-trifluoromethyl-benzenesulfonylamino)-propionic acid tert-butyl ester 

Relevant articles and documents

Meta C-H Arylation of Electron-Rich Arenes: Reversing the Conventional Site Selectivity

Controlling site selectivity of C-H activation without using a directing group remains a significant challenge. While Pd(II) catalysts modulated by a mutually repulsive pyridine-type ligand have been shown to favor the relatively electron-rich carbon centers of arenes, reversing the selectivity to favor palladation at the relatively electron-deficient positions has not been possible. Herein we report the first catalytic system that effectively performs meta C-H arylation of a variety of alkoxy aromatics including 2,3-dihydrobenzofuran and chromane with exclusive meta site selectivity, thus reversing the conventional site selectivity governed by native electronic effects. The identification of an effective ligand and modified norbornene (NBE-CO2Me), as well as taking advantage of the statistics, are essential for achieving the exclusive meta selectivity.

Aromatic Chlorosulfonylation by Photoredox Catalysis

Visible-light photoredox catalysis enables the efficient synthesis of arenesulfonyl chlorides from anilines. The new protocol involves the convenient in situ preparation of arenediazonium salts (from anilines) and the reactive gases SO2and HCl (from aqueous SOCl2). The photocatalytic chlorosulfonylation operates at mild conditions (room temperature, acetonitrile/water) with low catalyst loading. Various functional groups are tolerated (e.g., halides, azides, nitro groups, CF3, SF5, esters, heteroarenes). Theoretical and experimental studies support a photoredox-catalysis mechanism.

Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists

The present invention relates to urotensin II receptor antagonists, CCR-9 antagonists, pharmaceutical compositions containing them and their use.