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

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

Uses

Used in Chemical Synthesis:
4-Methylthio-3-nitrobenzotrifluoride is used as a key intermediate in the synthesis of various organic compounds and pharmaceuticals. Its unique functional groups facilitate specific chemical reactions, enabling the production of desired products with high selectivity and efficiency.
Used in Research and Development:
In the field of organic chemistry, 4-Methylthio-3-nitrobenzotrifluoride serves as a valuable research tool for understanding the reactivity and properties of different functional groups. It is used in academic and industrial laboratories to explore novel reaction pathways, develop new synthetic methods, and investigate the structure-activity relationships of various compounds.
Used in Specialty Chemical Industries:
Due to its unique chemical properties, 4-Methylthio-3-nitrobenzotrifluoride finds applications in specialized chemical industries, such as the production of agrochemicals, dyes, and advanced materials. Its versatility in chemical reactions allows for the development of innovative products with improved performance and functionality.
Used in Analytical Chemistry:
4-Methylthio-3-nitrobenzotrifluoride can be employed as a reagent or a derivatizing agent in analytical chemistry for the detection, identification, and quantification of various compounds. Its distinct chemical properties enable selective reactions with specific analytes, improving the sensitivity and accuracy of analytical methods.

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 
• 860-39-9 bis(2-nitro-4-trifluoromethylphenyl) disulfide 
• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 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.

Palladium-catalyzed decarboxylative methylthiolation of aromatic carboxylic acids by using DMSO as the sulfurizing reagent

By using simple and readily available DMSO as a convenient and environmentally friendly source of sulfur, a practical approach for the Pd-catalyzed decarboxylative methylthiolation of 2-nitrobenzoic acids was developed. A range of substituents on the aryl group of the ortho-nitrobenzoic acid were compatible with this process.

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.