71236-96-9

Basic information

• Product Name: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE
• Synonyms: 4-Methylthio-3-nitrobenzotrifluoride 95%;4-Methylthio-3-nitrobenzotrifluoride95%;4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE
• CAS NO: 71236-96-9
• Molecular Formula: C₈H₆F₃NO₂S
• Molecular Weight: 237.2
• Mol File: 71236-96-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 94 °C
• Boiling Point: 256.2°C at 760 mmHg
• Flash Point: 108.8°C
• Appearance: /
• Density: 1.44g/cm³
• Vapor Pressure: 0.025mmHg at 25°C
• Refractive Index: 1.525
• CAS DataBase Reference: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE(71236-96-9)
• EPA Substance Registry System: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE(71236-96-9)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 71236-96-9(Hazardous Substances Data)

Usage

General Description

4-Methylthio-3-nitrobenzotrifluoride is a complex organic compound that contains several different functional groups. These include a methylthio group (-CH3S-), a nitro group (-NO2), and a trifluoride group (-F3). The benzene ring in its structure is part of the aromatic compound family, which has distinct chemical properties such as enhanced stability. The combination of these functional groups grants 4-Methylthio-3-nitrobenzotrifluoride unique chemical properties, making it useful in various chemical reactions and industrial processes. Its potential toxic and hazardous properties necessitate precise handling guidelines. Due to its specific nature, this compound is utilized primarily in specialized chemical industries and laboratory settings for research and development purposes.

InChI:InChI=1/C8H6F3NO2S/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3

Upstream product

• 67-68-5 dimethyl sulfoxide 
• 320-94-5 2-nitro-4-trifluoromethylbenzoic acid 
• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 860-39-9 bis(2-nitro-4-trifluoromethylphenyl) disulfide 
• 14371-82-5 2-nitro-4-(trifluoromethyl)benzenethiol 
• 74-88-4 methyl iodide 

Downstream Products

• 364-48-7 methyl-(2-nitro-4-trifluoromethyl-phenyl)-sulfone 

Relevant articles and documents

Copper-catalyzed decarboxylative methylthiolation of aromatic carboxylate salts with DMSO

A novel copper-catalyzed decarboxylative methylthiolation of arenecarboxylate salts has been realized using DMSO as the methylthiolation source. Various potassium aryl carboxylates underwent decarboxylative methylthiolation under air to furnish the corresponding aryl methyl thioethers in moderate to excellent yields. The reaction tolerated a wide variety of functional groups. Notably, the synthesis of ethylthioethers was also successfully achieved directly from diethyl sulfoxide under similar reaction conditions.

One-pot synthesis and asymmetric oxidation of 2-nitro-4-(trifluoromethyl) benzene containing sulfides

An efficient one-pot method for the preparation of 2-nitro-4- (trifluoromethyl)benzene containing sulfides from 1,1'-disulfanediylbis[2-nitro- 4-(trifluoromethyl)benzene] is proposed. The corresponding enantiomerically enriched sulfoxides with up to 78% enantiomeric excess are prepared by the asymmetric oxidation of sulfides using a modified Sharpless method. The yield of sulfoxides is shown to decrease with an increase in the bulk of the aliphatic group and with a decrease of the inductive effect of the hydrocarbonic moiety on the sulfur atom. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. Taylor & Francis Group, LLC.