74483-51-5

Basic information

• Product Name: 3,4-Dichloro-6-(trifluoromethyl)toluene
• Synonyms: 3,4-DICHLORO-6-(TRIFLUOROMETHYL)TOLUENE;3,4-DICHLORO-6-METHYLBENZOTRIFLUORIDE;BENZENE, 1,2-DICHLORO-4-METHYL-5-(TRIFLUOROMETHYL)-;4,5-Dichloro-2-methyltrifluorotoluene;4,5-DICHLORO-2-METHYLTRIFLUOROTOLUENE,98+%;4,5-Dichloro-2-(trifluoromethyl)toluene;3,4-Dichloro-6-trifluoromethyltoluene (DCTFT);1,2-Dichloro-4-Methyl-5-(trifluoroMethyl)benzene
• CAS NO: 74483-51-5
• Molecular Formula: C₈H₅Cl₂F₃
• Molecular Weight: 229.03
• EINECS: 1533716-785-6
• Mol File: 74483-51-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 201.5 °C at 760 mmHg
• Flash Point: 88.3 °C
• Appearance: /
• Density: 1.404 g/cm³
• Vapor Pressure: 0.437mmHg at 25°C
• Refractive Index: 1.474
• CAS DataBase Reference: 3,4-Dichloro-6-(trifluoromethyl)toluene(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dichloro-6-(trifluoromethyl)toluene(74483-51-5)
• EPA Substance Registry System: 3,4-Dichloro-6-(trifluoromethyl)toluene(74483-51-5)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 74483-51-5(Hazardous Substances Data)

Usage

Uses

3,4-Dichloro-6-(trifluoromethyl)toluene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Synthesis

500 ml of hydrogen fluoride, 600 ml of carbon tetrachloride and 140 g of 3,4-dichlorotoluene are reacted at 110° to 115° C. and 18.5 to 19.5 bar pressure. 151 g of a stubstance containing, in addition to 79.1% by weight of 3,4-dichlorotoluene, 20.2% by weight of 2-methyl-4,5-dichloro-benzotrifluoride, are obtained, corresponding to 74% of the theoretical yield, relative to 3,4-dichlorotoluene converted.

InChI:InChI=1/C8H5Cl2F3/c1-4-2-6(9)7(10)3-5(4)8(11,12)13/h2-3H,1H3

Synthetic route

3,4-Dichlorotoluene (95-75-0) → 1,2-Cl2-4-CF3-5-MeC6H2 (74483-51-5)

Conditions	Yield
With hydrogen fluoride In tetrachloromethane	74%

tetrachloromethane (56-23-5) + 3,4-Dichlorotoluene (95-75-0) → 1,2-Cl2-4-CF3-5-MeC6H2 (74483-51-5) + 1,2-Dichloro-5-methyl-3-trifluoromethyl-benzene

Conditions	Yield
With hydrogen fluoride at 115℃; for 12h; Yield given. Yields of byproduct given;

Upstream product

• 95-75-0 3,4-Dichlorotoluene 
• 56-23-5 tetrachloromethane 

Downstream Products

• 1123198-09-3 C₁₁H₈ClF₃N₂ 

Relevant articles and documents

Process for the preparation of aromatic trifluoromethyl compounds

A process for the preparation of an aromatic trifluoromethyl compound which comprises contacting an aromatic compound of the formula STR1 wherein R1 denotes hydrogen, alkyl, aryl, aralkyl, aryloxy, arylthio, polyhalogenoalkoxy or polyhalogenoalkylthio and the aromatic substituents R1 can in turn be substituted by halogen, alkyl, polyhalogenoalkyl, polyhalogenoalkoxy, polyhalogenoalkylthio, nitro, chlorocarbonyl or chlorosulfonyl, and R2, R3, R4 and R5 are independently hydrogen, halogen or alkyl and two adjacent radicals of the group R1 to R5 can conjointly form a three-membered to five-membered alkylene radical, with carbon tetrachloride and hydrogen fluoride at a temperature in the range of 50° C. to 140° C. Certain new aromatic trifluoromethyl compounds which can prepared by such a process are also disclosed.