705-46-4

Basic information

• Product Name: 3-Methylphenyl (trifluoromethyl) sulfide
• Synonyms: 1-Methyl-3-[(trifluoromethyl)sulfanyl]benzene
• CAS NO: 705-46-4
• Molecular Formula: C₈H₇F₃S
• Molecular Weight: 192.205
• Mol File: 705-46-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 129.5 °C at 760 mmHg
• Flash Point: 32.1 °C
• Density: 1.25 g/cm³
• CAS DataBase Reference: 3-Methylphenyl (trifluoromethyl) sulfide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methylphenyl (trifluoromethyl) sulfide(705-46-4)
• EPA Substance Registry System: 3-Methylphenyl (trifluoromethyl) sulfide(705-46-4)

Safety Data

• Hazardous Substances Data: 705-46-4(Hazardous Substances Data)

Upstream product

• 1422-76-0 3-methylbenzenediazonium tetrafluoroborate 
• 108-40-7 toluene-3-thiol 
• 2926-29-6 Langlois reagent 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 108-44-1 1-amino-3-methylbenzene 
• 2314-97-8 iodotrifluoromethane 
• 3872-23-9 Copper(I) trifluoromethanethiolate 
• 421-17-0 Trifluoromethylsulfenyl chloride 
• 121905-60-0 3-methylphenylmagnesium chloride 
• 108-88-3 toluene 

Downstream Products

• 946-65-6 3-(trifluoromethylthio)benzoic acid 

Relevant articles and documents

Metal-free trifluoromethylthiolation of arenediazonium salts with Me4NSCF3

A metal-free entry to the pharmaceutically meaningful substrate class of trifluoromethyl thioethers has been developed starting from widely available arenediazonium salts and commercially available Me4N+SCF3?. This reaction proceeds within one hour at 0 °C and is applicable to a wide range of functionalized substrates.

Copper-Mediated Oxidative Trifluoromethylthiolation of Potassium Aryltrifluoroborates with Elemental Sulfur and Ruppert-Prakash Reagent

A facile procedure for the copper-mediated oxidative trifluoromethylthiolation of potassium aryl- and heteroaryltrifluoroborates with Ruppert-Prakash reagent and elemental sulfur is presented. Aryl trifluoromethyl thioethers can be prepared in good to mod

A mild and fast photocatalytic trifluoromethylation of thiols in batch and continuous-flow

S-CF3 bonds are important structural motifs in various pharmaceutical and agrochemical compounds. However, their preparation remains a major challenge in synthetic organic chemistry. Here, we report the development of a mild and fast photocatalytic trifluoromethylation of thiols. The combination of commercially available Ru(bpy)3Cl2, visible light and inexpensive CF3I gas proved to be an efficient method for the direct trifluoromethylation of thiols. The protocol is demonstrated on a wide range of aromatic, hetero-aromatic and aliphatic substrates in both batch and continuous microflow (32 examples, 52-98% yield). Process intensification through continuous microflow application resulted in a 15-fold increase in production rate (0.25 mmol min-1) due to improved gas-liquid mass transfer, enhanced irradiation as well as convenient handling of the gaseous CF3 source. Furthermore, the efficiency of the flow process allowed to reduce the amount of CF3I (1.1 equivalent) to reach full conversion. This journal is