51431-75-5

Basic information

• Product Name: 1,3,5-trimethyl-2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzene
• CAS NO: 51431-75-5
• Molecular Formula: C₁₆H₁₅F₃S
• Molecular Weight: 296.3505
• Mol File: 51431-75-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 326°C at 760 mmHg
• Flash Point: 151°C
• Density: 1.21g/cm³
• Vapor Pressure: 0.000421mmHg at 25°C
• Refractive Index: 1.555
• CAS DataBase Reference: 1,3,5-trimethyl-2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-trimethyl-2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzene(51431-75-5)
• EPA Substance Registry System: 1,3,5-trimethyl-2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzene(51431-75-5)

Safety Data

• Hazardous Substances Data: 51431-75-5(Hazardous Substances Data)

Usage

Structure

Benzene derivative

Explanation

The compound is derived from benzene, which is a six-carbon ring with alternating single and double bonds.

Explanation

Methyl groups (CH3) are attached to the benzene ring at the specified positions, making it a trimethyl-substituted benzene.

Explanation

A phenyl ring (C6H5) has a trifluoromethyl group (CF3) attached to it, which is a carbon atom bonded to three fluorine atoms.

Explanation

The phenyl ring with the trifluoromethyl group is connected to the benzene ring through a sulfur atom, forming a sulfanyl (-S) linkage.

Explanation

The compound is used in various industries due to its unique properties and potential for further chemical reactions.

Explanation

The compound has been studied for its possible applications in the development of OLEDs, as well as for its potential to exhibit antimicrobial and anti-inflammatory effects.

Explanation

The chemical structure of 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfanylbenzene can be used as a starting point for the synthesis of other complex organic molecules with specific properties and applications.

Substituents

Three methyl groups on the 1st, 3rd, and 5th positions

Additional functional group

Trifluoromethyl group attached to a phenyl ring

Thiolation

Phenyl ring is thiolated

Applications

Pharmaceutical, agrochemical, and materials science

Potential uses

Organic light-emitting diodes (OLEDs), antimicrobial, and anti-inflammatory properties

Synthesis

Building block for other specialized organic compounds

Upstream product

• 825-83-2 4-trifluoromethylbenzenethiol 
• 108-67-8 1,3,5-trimethyl-benzene 
• 1541-10-2 mesitylthiol 
• 402-43-7 p-trifluoromethylphenyl bromide 

Downstream Products

• 848-17-9 <4-Trifluormethyl-phenyl>-mesityl-sulfon 

Relevant articles and documents

Iodine(III) Enabled Dehydrogenative Aryl C?S Coupling by in situ Generated Sulfenium Ion

Due to the normal polarity preferences, arenes form stable complexes with thiols through S?H???π interaction and direct dehydrogenative aryl C?S coupling is usually restricted. We report here an umpolung based one pot and direct C?S coupling approach unde