394-60-5

Basic information

• Product Name: 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE
• Synonyms: 1-NITRO-4-(TRIFLUOROMETHYLSULPHINYL)BENZENE;4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTHIOANISOLE;4-(TRIFLUOROMETHYLSULFINYL)NITROBENZENE;4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE;4-Nitro-alpha,alpha,alpha-Trifluorthioanisole;4-Nitrophenyl trifluoromethyl sulphoxide;1-nitro-4-[(trifluoromethyl)sulfinyl]benzene
• CAS NO: 394-60-5
• Molecular Formula: C₇H₄F₃NO₃S
• Molecular Weight: 239.17
• EINECS: 254-470-9
• Mol File: 394-60-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 59-60°C
• Boiling Point: 309.1 °C at 760 mmHg
• Flash Point: 140.7 °C
• Appearance: /
• Density: 1.64 g/cm³
• Vapor Pressure: 0.438mmHg at 25°C
• Refractive Index: 1.528
• CAS DataBase Reference: 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE(394-60-5)
• EPA Substance Registry System: 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE(394-60-5)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39
• Hazardous Substances Data: 394-60-5(Hazardous Substances Data)

Usage

General Description

4-(Trifluoromethylsulphinyl)nitrobenzene is a chemical compound with the molecular formula C7H4F3NO2S. It is commonly used as a building block in the synthesis of agrochemicals and pharmaceuticals. The compound is a nitroaromatic derivative with a trifluoromethylsulphinyl group attached to the benzene ring, giving it valuable characteristics for chemical reactions and industrial applications. It is a pale yellow solid and is considered a potential mutagen. Additionally, it is important to handle this compound with caution due to its potential harmful effects on human health and the environment.

InChI:InChI=1/C7H4F3NO2S/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

Upstream product

• 403-66-7 p-nitrophenyl trifluoromethyl sulfide 
• 100-32-3 di(p-nitrophenyl) disulfide 
• 456-56-4 phenyl trifluoromethylsulfide 
• 13088-17-0 4-nitro-benzenesulfinyl chloride 
• 81290-20-2 (trifluoromethyl)trimethylsilane 

Downstream Products

• 95970-31-3 C₈H₄F₆N₂O₄S₂ 
• 95448-39-8 imino(4-nitrophenyl)(trifluoromethyl)-λ⁶-sulfanone 
• 708-67-8 4-aminophenyl trifluoromethylsulfoxide 
• 95970-25-5 s-Trifluoromethyl-S-p-aminophenyl-N-trifluoromethylsulfonylsulfimide 
• 95970-26-6 S-Trifluoromethyl-S-p-(4-dimethylaminophenylazo)phenyl-N-trifluoromethylsulfonylsulfimide 
• 426-58-4 (trifluoromethylsulfonyl)benzene 
• 456-56-4 phenyl trifluoromethylsulfide 
• 703-18-4 phenyl trifluoromethyl sulfoxide 
• 1948-06-7 <3-Nitro-phenyl>-trifluormethyl-sulfoxid 
• 942-39-2 1-fluoro-4-((trifluoromethyl)sulfinyl)benzene 
• 1948-05-6 (3-Amino-phenyl)-trifluormethyl-sulfoxid 
• 1092380-24-9 S-(trifluoromethyl)-4-nitrophenylphenylsulfonium triflate 

Relevant articles and documents

Selective oxidation and chlorination of trifluoromethylsulfide using trichloroisocyanuric acid in ionic liquid

A route to chemoselective oxidation and chlorination of aryltrifluoromethylsulfide using trichloroisocyanuric acid (TCCA) in ionic liquid, an efficiently O-methylation reaction and a reduction of nitro- to amido- in excellent yields have been developed.

Nucleophilic trifluoromethylation of organic substrates using (trifluoromethyl)trimethylsilane in the presence of a fluoride anion. II. A convenient route to aryltrifluoromethyl-sulfides, - sulfoxides and -sulfones

Aryltrifluoromethyl-sulfides, -sulfoxides and -sulfones can be prepared by trifluoromethylation of the corresponding arylsulfenyl, -sulfinyl and -sulfonyl halides using (trifluoromethyl)trimethylsilane in the presence of fluoride sources, such as TASF . - Keywords: Nucleophilic trifluoromethylation; (Trifluoromethyl)trimethylsilane; Fluoride anion; Aryltrifluoromethylsulfides; Aryltrifluoromethylsulfoxides; Aryltrifluoromethylsulfones