940-76-1

Basic information

• Product Name: 1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE
• Synonyms: 1-FLUORO-4-TRIFLUOROMETHYLSULFANYL-BENZENE;1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE;4-FLUOROPHENYL TRIFLUOROMETHYL SULPHIDE;P-FLUOROPHENYLTRIFLUOROMETHYL SULFIDE;4-(Trifluoromethylthio)fluorobenzene;4-Fluorophenyltrifluoromethylsulfide;alpha,alpha,alpha-4-Tetrafluorothioanisole;à,à,à,4-tetrafluorothioanisole
• CAS NO: 940-76-1
• Molecular Formula: C₇H₄F₄S
• Molecular Weight: 196.17
• Mol File: 940-76-1.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 136-138°C
• Flash Point: 136-138°C
• Appearance: /
• Density: 1.38
• Vapor Pressure: 29.3mmHg at 25°C
• Refractive Index: 1.45
• Sensitive: Stench
• BRN: 2046333
• CAS DataBase Reference: 1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE(940-76-1)
• EPA Substance Registry System: 1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE(940-76-1)

Safety Data

• Hazard Codes: T,Xi
• Statements: 10-36/37/38
• Safety Statements: 23-26-36-37
• RIDADR: 1993
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 940-76-1(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

InChI:InChI=1/C7H4F4S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

Upstream product

• 459-45-0 4-fluorobenzenediazonium tetrafluoroborate 
• 15223-20-8 1-methyl-4-{[(trifluoromethyl)sulfanyl]sulfonyl}benzene 
• 371-40-4 4-fluoroaniline 
• 1640084-14-5 (((2-phenylpropan-2-yl)oxy)(trifluoromethyl)sulfane) 
• 352-34-1 4-fluoro-1-iodobenzene 
• 371-42-6 4-Fluorothiophenol 
• 2926-29-6 Langlois reagent 
• 811-68-7 silver(I) trifluoromethanethiolate 
• 3872-23-9 Copper(I) trifluoromethanethiolate 
• 352-33-0 1-Chloro-4-fluorobenzene 
• 1765-93-1 4-fluoroboronic acid 
• 104-96-1 4-methylsulfanylaniline 
• 371-15-3 p-fluorothioanisole 
• 405-31-2 bis(4-fluorophenyl)disulfide 

Downstream Products

• 37552-84-4 methyl (4-((trifluoromethyl)sulfonyl)phenyl)sulfane 
• 75070-85-8 rhodium hydrido (PEt₃)3 complex 
• 834-02-6 2-fluoro-5-trifluoromethanesulfonyl-aniline 
• 656-83-7 (4-fluoro-3-nitro-phenyl)-trifluoromethyl sulfone 
• 942-39-2 1-fluoro-4-((trifluoromethyl)sulfinyl)benzene 
• 95970-30-2 C₈H₄F₇NO₂S₂ 
• 944-30-9 p-fluorophenyl trifluoromethyl sulfone 

Relevant articles and documents

Visible-Light-Mediated Synthesis of Trifluoromethylthiolated Arenes

The visible-light-mediated synthesis of trifluoromethylthiolated arenes in the presence of ruthenium-based photocatayst under mild reaction conditions is reported. The trifluoromethylthiolated arenes are obtained using the shelf-stable reagent trifluoromethyl toluenethiosulfonate at room temperature. The reaction proceeds selectively and does not require the presence of any additive. A mechanism is proposed based on the obtained results of EPR as well as luminescence.

Metal-free trifluoromethylthiolation of arenediazonium salts with Me4NSCF3

A metal-free entry to the pharmaceutically meaningful substrate class of trifluoromethyl thioethers has been developed starting from widely available arenediazonium salts and commercially available Me4N+SCF3?. This reaction proceeds within one hour at 0 °C and is applicable to a wide range of functionalized substrates.

Silver-catalyzed fluoroalkylation of thiols using fluoroalkanesulfinates

A practical sliver-catalyzed fluoroalkylation of aryl-, heteroaryl- and alkylthiols has been developed. The reaction has a good functional-group tolerance and excellent selectivity. A variety of stable and solid fluoroalkanesulfinates including di- and perfluoroalkanesulfinates can be employed. This methodology provides a straightforward and streamlined access to perfluoroalkylthiolated organic molecules. [Figure presented]