97985-54-1

Basic information

• Product Name: 2,3,4,5-TETRACHLOROBENZOTRIFLUORIDE
• Synonyms: 2,3,4,5-TETRACHLOROBENZOTRIFLUORIDE;2,3,4,5-TETRACHLOROBENZOTRIFLUOROIDE
• CAS NO: 97985-54-1
• Molecular Formula: C₇HCl₄F₃
• Molecular Weight: 283.89
• Mol File: 97985-54-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 242.0±35.0 °C(Predicted)
• Appearance: /
• Density: 1.662±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2,3,4,5-TETRACHLOROBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5-TETRACHLOROBENZOTRIFLUORIDE(97985-54-1)
• EPA Substance Registry System: 2,3,4,5-TETRACHLOROBENZOTRIFLUORIDE(97985-54-1)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 97985-54-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 30, p. 3825, 1989 DOI: 10.1016/S0040-4039(01)80668-7

Upstream product

• 56148-83-5 2,4,5-trichloro-1-(trifluoromethyl)benzene 
• 50594-82-6 1-trifluoromethyl-3,4,5-trichlorobenzene 
• 66682-07-3 3,4,5-trichlorotrichlorotoluene 
• 2136-87-0 2,3,4,5-tetrachloro-1-(trichloromethyl)benzene 
• 13014-24-9 3,4-dichloro-1-trichloromethylbenzene 
• 27020-90-2 2,4,5-trichloro-1-(trichloromethyl)benzene 
• 320-60-5 2,4-dichloro-benzotrifluoride 
• 75-69-4 trichlorofluoromethane 
• 634-66-2 1,2,3,4,-tetrachlorobenzene 
• 98-15-7 3-chlorotrifluoromethylbenzene 
• 98-56-6 4-chlorobenzotrifluoride 
• 61841-45-0 2,3,4-trichloro-1-(trifluoromethyl)benzene 

Downstream Products

• 115812-33-4 2,3,4-trifluoro-5-chloro-trifluoromethylbenzene 
• 654-53-5 1,2,3,4-tetrafluoro-5-(trifluoromethyl)benzene 
• 2136-87-0 2,3,4,5-tetrachloro-1-(trichloromethyl)benzene 

Relevant articles and documents

Process for the production of 4-amino-3,5-dichlorobenzotrifluoride with high purity commercial products being obtained in parallel

Process for the production of 4-amino-3,5-dichlorobenzotrifluoride comprising the stages:A) chlorination of 4-chlorobenzotrichloride, in the presence of a Lewis acid, in order to obtain a mixture of 3,4-dichlorobenzotrichloride and 3,4,5-trichlorobenzotrichloride and other chlorine derivatives by performing the reaction in such a manner as to obtain in the mixture of reaction products a quantity of 3,4,5-trichlorobenzotrichloride of greater than 10% by weight and preferably of between 20% and 30% by weight and a concentration of 3,4-trichlorobenzotrichloride of less than 90% by weight and preferably of between approx. 55% and 75% by weight, relative to the total weight of the chlorinated derivatives;B) fluorination with hydrofluoric acid of the mixture of chlorination products as obtained in stage A) in order to obtain the corresponding benzotrifluorides; andC) separation by distillation of the mixture of products of stage B) in order to obtain 3,4,5-trichlorobenzotrifluoride or an isomeric mixture of 3,4,5- and 2,4,5-trichlorobenzotrifluoride; andD) amination of 3,4,5-trichlorobenzotrifluoride or of said isomeric mixture.

NEW SYNTHESIS OF POLYCHLORO(TRIFLUOROMETHYL)BENZENES AND HIGHLY STRAINED POLYCHLORO(TRICHLOROMETHYL)BENZENES

Several polychloro(trifluoromethyl)benzenes have been prepared by treatment of the corresponding polychlorobenzenes with CCl3F and AlCl3.The resulting trifluoromethyl derivatives, by reaction with the same inorganic halide in CS2, give their trichloromethyl analogues.

FEATURES OF THE HIGH CHLORINATION OF 4-CHLORO- AND 2,4-DICHLOROTRIFLUOROMETHYLBENZENE

The high electrophilic chlorination of 4-chloro- and 2,4-dichlorotrifluoromethylbenzenes was investigated under the conditions of catalysis by ferric chloride (80 deg C).The chlorination of 4-chlorotrifluoromethylbenzene gives only the 3,4-dichloride, and further substitution leads to a mixture of the 3,4,5-trichloride (72percent), the 2,4,5-trichloride (23percent), the 2,3,4-trichloride (5percent), and then 2,3,4,5-tetrachlorotrifluoromethylbenzene.The chlorination of 2,4-dichlorotrifluoromethylbenzene gives the 2,4,5-trichloride (80percent), the 2,3,4-trichloride (20percent), and the 2,3,4,5-tetrachloride.The reactivities of the compounds are consistent with the principle of additivity in the free energy of activation.