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
• Article Data: 5

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

General Description

4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride is a chemical compound with the molecular formula C7HClF4. It is a colorless liquid with a faint odor and is used primarily as an intermediate in the production of pharmaceuticals and agrochemicals. It is also utilized in the manufacturing of specialty materials and as a solvent in various industrial processes. 4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride is known to be highly reactive and flammable, and should be handled with caution. Additionally, it is important to ensure proper storage and disposal practices to prevent any potential harm to the environment or human health.

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

Upstream product

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

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.

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