50594-82-6

Basic information

• Product Name: 3,4,5-Trichlorobenzotrifluoride
• Synonyms: 3,4,5-TRICHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;3,4,5-TRICHLOROBENZOTRIFLUORIDE;1,2,3-TRICHLORO-5-(TRIFLUOROMETHYL)BENZENE;3,4,5-Trichlorotrifluoromethylbenzene;3,4,5-Trichloro-3,5-dinitrobenzotrifluoride;3,4,5-Trichlorobenzotrifluoride 98%;3,4,5-TRICHLOROTRIFLUORIDE;3,4,5-Trichlorobenzotrifluoride98%
• CAS NO: 50594-82-6
• Molecular Formula: C₇H₂Cl₃F₃
• Molecular Weight: 249.44
• EINECS: 256-636-6
• Product Categories: alkyl chloride
• Mol File: 50594-82-6.mol
• Article Data: 16

Chemical Properties

• Melting Point: -10--8 °C
• Boiling Point: 200-202 °C(lit.)
• Flash Point: 209 °F
• Appearance: clear colorless liquid
• Density: 1.6 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.421mmHg at 25°C
• Refractive Index: n20/D 1.5(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2212413
• CAS DataBase Reference: 3,4,5-Trichlorobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-Trichlorobenzotrifluoride(50594-82-6)
• EPA Substance Registry System: 3,4,5-Trichlorobenzotrifluoride(50594-82-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 50594-82-6(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

InChI:InChI=1/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H

Upstream product

• 98-08-8 α,α,α-trifluorotoluene 
• 98-56-6 4-chlorobenzotrifluoride 
• 98-15-7 3-chlorotrifluoromethylbenzene 
• 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 
• 24279-39-8 2,6-dichloro-4-(trifluoromethyl)aniline 
• 34207-44-8 2-chloro-5-trifluoromethyl-1,3-phenylenediamine 
• 50594-81-5 5-amino-3,4-dichloro-α,α,α-trifluorotoluene 

Downstream Products

• 63366-40-5 Dichloro-(2,3-dichloro-5-trifluoromethyl-phenyl)-methyl-silane 
• 63366-41-6 Dichloro-(2,6-dichloro-4-trifluoromethyl-phenyl)-methyl-silane 
• 58795-76-9 Dichloro-(3-chloro-5-trifluoromethyl-phenyl)-methyl-silane 
• 24279-39-8 2,6-dichloro-4-(trifluoromethyl)aniline 
• 80172-04-9 3,4,5-Trifluorobenzotrifluoride 
• 122452-28-2 7-(2,6-dichloro-4-trifluoromethyl-phenoxy)-2-naphthol 
• 71626-85-2 2,6-dichloro-4-trifluoromethyl-3'-hydroxy-diphenyl ether 
• 1309790-94-0 (2,3-dichloro-5-(trifluoromethyl)phenyl)(phenyl)sulfane 
• 104554-79-2 1,2-dichloro-3-fluoro-5-trifluoromethylbenzene 
• 77227-81-7 1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene 
• 55406-97-8 2,6-dichloro-4-trifluoromethyl-4'-cyano-diphenyl ether 
• 55407-13-1 2,6-dichloro-4-trifluoromethyl-3'-methoxy-4'-cyano-diphenyl-ether 
• 86398-94-9 2,6-dichloro-4-(trifluoromethyl)phenyl hydrazine 
• 50594-84-8 1,3-bis(2,6-dichloro-α,α,α-trifluoro-p-tolyloxy)-4-nitrobenzene 

Relevant articles and documents

New process for synthesizing 3,4,5-trichlorobenzotrifluoride

The invention discloses a new process for synthesizing 3,4,5-trichlorobenzotrifluoride, wherein p-chlorobenzotrifluoride is used as a raw material, andchlorination, rectification and neutralization are performed to obtain the 3,4,5-trichlorobenzotrifluoride. Compared with the method in the prior art, the method of the invention has the following characteristics that the used raw materials avoid alarge amount of sulfuric acid and nitric acid, so that the corrosion to equipment is small, the pollution is greatly reduced, and the harm to the environment is reduced; the used raw material p-chlorobenzotrifluoride is wide in source and low in price, so that the production cost of the target compound can be reduced, and the economic benefit is improved; and by adjusting the reaction conditions,the content of the 3,4,5-trichlorobenzotrifluoride achieves 8-10%, and the 3,4-dichlorobenzotrifluoride is separated from the 3,4,5-trichlorobenzotrifluoride by rectification, such that the operationis simple and convenient.

Preparation Method of 2, 6-Dichlor-4-Trifluoromethyl Aniline

This invention is involved with a preparation method of 2,6-dichlor-4-trifluoromethyl aniline. With this process, 4-chlorotrifluoromethyl benzene is used as the starting material and subjected to halogenation reaction and ammoniation reaction and through separation of reaction products the desired 2,6-dichlor-4-trifluoromethyl aniline is obtained. In addition, ammonia is recovered from the surplus ammonia water in ammoniation reaction. This applied invention in characterized by simple process, cheap and easy-available raw materials, high reaction yield and friendly environment.

RELATIONSHIPS AND KINETICS OF THE EXHAUSTIVE CHLORINATION OF m-CHLOROTRIFLUOROMETHYLBENZENE AND TRIFLUOROMETHYLBENZENE

The exhaustive electrophilic chlorination of m-chlorotrifluoromethylbenzene and trifluoromethylbenzene, catalyzed by ferric chloride , was investigated on the basis of a correlation approach.The relationships governing the regulation of the reactivity of the chlorine derivatives of trifluoromethylbenzene were studied.A quantitative relation was established between the direction of chlorination and the effects of the substituents; the effects of the latter remain unchanged in the polychloro derivatives of trifluoromethylbenzene, while the overall effect is close to additive.The distribution of the isomers was determined for various degrees of substitution of trifluoromethylbenzene: monochloro, 2- , 3- , 4- ; dichloro, 2,5- , 3,4- , 2,3- , 3,5- ; trichloro, 2,3,5- and 2,4,5- , 3,4,5- , 2,3,6- , 2,3,4- ; tetrachloro-, 2,3,5,6- , 2,3,4,5- .The following derivatives are formed during the chlorination of m-chlorotrifluoromethylbenzene: dichloro, 2,5- , 3,4- , 2,3- , 3,5- ; trichloro, 2,3,5- and 2,4,5- , 3,4,5- , 2,3,6- , 2,3,4- ; tetrachloro, 2,3,5,6- , 2,3,4,5- .The distribution of the isomers agrees with the distribution calculated on the basis of the employed parameters and the additivity principle.The compositions of the products with various degrees of chlorination are given satisfactorily by kinetic curves describing a multistage system of consecutive and parallel irreversible first-order reactions.