3335-35-1

Basic information

• Product Name: 1-Methyl-4-(trichloromethyl)benzene
• Synonyms: 1-Methyl-4-(trichloromethyl)benzene
• CAS NO: 3335-35-1
• Molecular Formula: C₈H₇Cl₃
• Molecular Weight: 0
• Mol File: 3335-35-1.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-Methyl-4-(trichloromethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-4-(trichloromethyl)benzene(3335-35-1)
• EPA Substance Registry System: 1-Methyl-4-(trichloromethyl)benzene(3335-35-1)

Safety Data

• Hazardous Substances Data: 3335-35-1(Hazardous Substances Data)

Usage

Classification

Organochlorine compound

Physical state

Colorless liquid

Odor

Sharp, sweet

Primary use

Intermediate in the production of organic chemicals and plastics

Secondary uses

Agricultural fungicide, solvent in the manufacturing of dyes and other chemicals

Toxicity

Considered toxic, poses health risks if inhaled, ingested, or comes into contact with skin and eyes

Environmental impact

Potential environmental hazard due to persistence and bioaccumulation in aquatic organisms

Upstream product

• 6140-17-6 4-methylbenzotrifluoride 
• 56-23-5 tetrachloromethane 
• 108-88-3 toluene 
• 23063-36-7 1-(dichloromethyl)-4-methylbenzene 
• 13250-88-9 bis(4-methylbenzyl)sulfane 
• 84035-83-6 (4-chloro-phenyl)-(4-methyl-benzyl)-sulfide 

Downstream Products

• 66417-30-9 2-bromo-1-methyl-4-(trifluoromethyl)benzene 
• 133545-16-1 (RS)-(6,6'-dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine) 
• 72024-84-1 1,3,5-triphenylverdazylium chloride 

Relevant articles and documents

Iron-Catalyzed Halogen Exchange of Trifluoromethyl Arenes**

The facile production of ArCF2X and ArCX3 from ArCF3 using catalytic iron(III)halides is reported, which constitutes the first iron-catalyzed halogen exchange for non-aromatic C?F bonds. Theoretical calculations suggest direct activation of C?F bonds by iron coordination. ArCX3 and ArCF2X products of the reaction are synthetically valuable due to their diversification potential. In particular, chloro- and bromodifluoromethyl arenes (ArCF2Cl, ArCF2Br respectively) provide access to a myriad of difluoromethyl arene derivatives (ArCF2R). To optimize for mono-halogen exchange, a statistical method called Design of Experiments was used. Optimized parameters were successfully applied to electron rich and electron deficient aromatic substrates, and to the late stage diversification of flufenoxuron, a commercial insecticide. These methods are highly practical, being run at convenient temperatures and using inexpensive common reagents.

Chlorination and alkylation of toluene with carbon tetrachloride

It was shown that benzyl chloride can be synthesized from toluene and carbon tetrachloride with a high selectivity. The optimum conditions of side-chain chlorination and benzene-ring alkylation in the CCl4-toluene system were determined.

Substituted Benzotrichloride Synthesis by Phase Transfer-Catalyzed Chlorination

A new method for converting benzyl and benzal chlorides to benzotrichlorides is reported.In contrast to prior art, the process involves contacting the substrates with strong alkali in a two-phase system containing phase transfer catalyst using organic soluble perchloralkanes acting upon base-generated carbanions.The method is particularly useful for preparing benzotrichlorides substituted by either alkyl or nitro groups.