654-53-5

Basic information

• Product Name: 2,3,4,5-TETRAFLUOROBENZOTRIFLUORIDE
• Synonyms: 2,3,4,5-Tetrafluorobenzodioxene;α,α,α,2,3,4,5-Heptafluorotoluene;2,3,4,5-TETRAFLUOROBENZOTRIFLUORIDE;ALPHA,ALPHA,ALPHA,2,3,4,5-HEPTAFLUOROTOLUENE;ALPHA,ALPHA,ALPHA,2,3,4,5-HEPTAFLUORTOLUOL;à,à,à,2,3,4,5-heptafluorotoluene;2,3,4,5-Tetrafluorobenzotrifluoride 99%;2,3,4,5-Tetrafluorobenzotrifluoride99%
• CAS NO: 654-53-5
• Molecular Formula: C₇HF₇
• Molecular Weight: 218.07
• EINECS: -0
• Mol File: 654-53-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 104 °C
• Flash Point: 20.5 °C
• Appearance: Clear colorless liquid
• Density: 1.7613 (rough estimate)
• Vapor Pressure: 37.2mmHg at 25°C
• Refractive Index: 1.3725
• Storage Temp.: Flammables area
• BRN: 1973474
• CAS DataBase Reference: 2,3,4,5-TETRAFLUOROBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5-TETRAFLUOROBENZOTRIFLUORIDE(654-53-5)
• EPA Substance Registry System: 2,3,4,5-TETRAFLUOROBENZOTRIFLUORIDE(654-53-5)

Safety Data

• Hazard Codes: Xi-F,Xi
• Statements: 36/37/38-11
• Safety Statements: 9-37/39-33-26-16-36
• RIDADR: 1993
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 654-53-5(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

InChI:InChI=1/C7HF7/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H

Upstream product

• 434-64-0 perfluorotoluene 
• 115812-33-4 2,3,4-trifluoro-5-chloro-trifluoromethylbenzene 
• 97985-54-1 2,3,4,5-tetrachloro-1-(trifluoromethyl)benzene 
• 2751-90-8 tetraphenylphosphonium bromide 
• 21724-11-8 2-Trifluormethyl-1,4,5,6,7,7,8,8-octafluor-bicyclo<2.2.2>octadien-(2,5) 
• 715-30-0 1-chloro-2,3,4,5-tetrafluoro-6-trifluoromethyl-benzene 

Downstream Products

• 434-64-0 perfluorotoluene 
• 392-91-6 1,2,5-trifluoro-3-(trifluoromethyl)benzene 
• 393-38-4 2,5-difluoro(trifluoromethyl)benzene 
• 1442461-29-1 1,2,4,5-tetrafluoro-3-((4-methoxyphenyl)ethynyl)-6-(trifluoromethyl)benzene 
• 157766-28-4 2,3,4,5-tetraflurobenzotrichloride 
• 19113-94-1 Decafluorfluoren 
• 66820-64-2 2-Brom-heptafluortoluol 

Relevant articles and documents

Transition-Metal-Free Catalytic Hydrodefluorination of Polyfluoroarenes by Concerted Nucleophilic Aromatic Substitution with a Hydrosilicate

A transition-metal-free catalytic hydrodefluorination (HDF) reaction of polyfluoroarenes is described. The reaction involves direct hydride transfer from a hydrosilicate as the key intermediate, which is generated from a hydrosilane and a fluoride salt. The eliminated fluoride regenerates the hydrosilicate to complete the catalytic cycle. Dispersion-corrected DFT calculations indicated that the HDF reaction proceeds through a concerted nucleophilic aromatic substitution (CSNAr) process.

Halex reactions of aromatic compounds catalysed by 2-azaallenium, carbophosphazenium, aminophosphonium and diphosphazenium salts: A comparative study

An increasing number of biologically active compounds in the pharma and agro-chemical sector contain carbon fluorine bonds. One of the most common methods to introduce fluorine into intermediates is the well-investigated halogen-exchange reaction, in which chloro- and bromoaromatics activated towards nucleophilic substitution, react with a fluoride source to yield the corresponding fluoroarenes. In general, the reaction is supported by phase-transfer catalysts. The use of a new class of very active phase-transfer catalysts gives the possibility of substituting even halogens with weak activation giving a convenient access to interesting compounds that are not available so far and opening up new synthetic routes in Halex chemistry. Our new classes of catalysts, CNC+ (1a), PNC+ (2a) and several different approaches presented by other groups are described and experimental results discussed.