40885-89-0

Basic information

• Product Name: 4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride
• Synonyms: 4-Chloroheptafluorotoluene;Perfluoro-4-chlorotoluene
• CAS NO: 40885-89-0
• Molecular Formula: C₇ClF₇
• Molecular Weight: 252.52
• Mol File: 40885-89-0.mol

Chemical Properties

• Boiling Point: 146.3°C at 760 mmHg
• Flash Point: 49.7°C
• Appearance: /
• Density: 1.664g/cm³
• Vapor Pressure: 5.89mmHg at 25°C
• Refractive Index: 1.391
• CAS DataBase Reference: 4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride(40885-89-0)
• EPA Substance Registry System: 4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride(40885-89-0)

Safety Data

• Hazardous Substances Data: 40885-89-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride serves as a crucial intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure contributes to the development of drugs with specific therapeutic properties, enhancing the range of treatments available for different medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride is utilized as an intermediate for the production of pesticides and other crop protection agents. Its incorporation into these products helps improve agricultural yields by combating pests and diseases effectively.
Used in Specialty Materials Manufacturing:
4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride is also employed in the creation of specialty materials, which often possess unique properties such as heat resistance, chemical stability, or specific electrical characteristics. Its role in these materials contributes to the advancement of various industrial applications.
Used as a Solvent in Industrial Processes:
4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride is used as a solvent in a variety of industrial processes due to its ability to dissolve a wide range of substances. Its solvent properties are harnessed to facilitate chemical reactions or to purify and process materials in different industries.

InChI:InChI=1/C7ClF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12

Upstream product

• 65171-20-2 bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]diazene 
• 651-80-9 1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene 
• 434-64-0 perfluorotoluene 
• 651-84-3 4-trifluoromethyl-2,3,5,6-tetrafluorothiophenol 
• 63995-48-2 4-trifluoromethyl-2,3,5,6-tetrafluoro-N,N-dichloroaniline 

Downstream Products

• 53575-23-8 p-Chlor-hexafluorbenzyl-Kation 
• 253882-74-5 1-allyl-2,3,5,6-tetrafluoro-4-trifluoromethylbenzene 
• 651-80-9 1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene 

Relevant articles and documents

Evidence for Nitrene Formation via Pyrolysis of an NN-Dihalogenoaniline: Thermal Conversion of NN-Dichloroperfluoro-p-toluidine into Perfluoro-(2-dichloromethyl-4-methylpyridine) and Perfluoro-(1-cyano-4-methylcyclopenta-1,3-diene)

Flow pyrolysis of NN-dichloroperfluoro-p-toluidine at 550 degC and ca. 1 mmHg yields, inter alia, perfluoro-4,4'-azotoluene, perfluoro-4-chlorotoluene, perfluoro-(2-dichloromethyl-4-methylpyridine) and perfluoro-(1-cyano-4-methylcyclopenta-1,3-diene); for

SNAr catalysis enhanced by an aromatic donor-acceptor interaction; Facile access to chlorinated polyfluoroarenes

Selective catalytic SNAr reaction of polyfluoroaryl C-F bonds with chloride is shown. Stoichiometric TMSCl makes the reaction exergonic and allows catalysis, which involves ground state elevation of chloride, aromatic donor-acceptor interactions, and stabilization of the Meisenheimer complex. Traditional cross-coupling of the products is now possible and demonstrates the utility.

Synthesis of chloropolyfluoroarenes from polyfluoroarenethiols and PCl5

Replacement of the thiol group in polyfluoroarenethiols with chlorine was performed by treating with PCl5 as chlorinating agent. By heating in ampules at 200-220°C polyfluoro- and polyfluorochloroarenethiols with PCl5 mono- and dichloropolyfluoroarenes and also 1,2,4-trifluorotrichlorobenzene were synthesized. Dichloropolyfluoroarenes contain chlorine atoms in ortho- and para-positions.

Organofluorine sulfur-containing compounds: V. Joint pyrolysis with chlorine or bromine of polyfluoroarenethioles, polyfluorohetarenethioles, and their derivatives

Joint pyrolysis with chlorine and bromine of polyfluoroarenethiols, -hetarenethiols, and their derivatives at 300-650°C furnished polyfluorocompounds containing chlorine and bromine. 2005 Pleiades Publishing, Inc.

Chloro- and bromo-defluorination of hexafluorobenzene and octafluorotoluene

Halo(chloro, bromo)defluorination of perfluorobenzaene and toluene efficiently occurs under the action of appropriate alkali metal halides in the presence of hexaethylguanidinium chloride in catalytic amount. The relative efficiency of halide anions and m