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4-Methylthio-3-nitrobenzotrifluoride is a complex organic compound characterized by the presence of a methylthio group (-CH3S-), a nitro group (-NO2), and a trifluoride group (-F3) attached to a benzene ring. This aromatic compound exhibits unique chemical properties due to the combination of these functional groups, which contribute to its enhanced stability and reactivity in various chemical reactions and industrial processes. However, its potential toxic and hazardous properties require careful handling and usage, primarily in specialized chemical industries and laboratory settings for research and development purposes.

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  • 71236-96-9 Structure
  • Basic information

    1. Product Name: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE
    2. Synonyms: 4-Methylthio-3-nitrobenzotrifluoride 95%;4-Methylthio-3-nitrobenzotrifluoride95%;4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE
    3. CAS NO:71236-96-9
    4. Molecular Formula: C8H6F3NO2S
    5. Molecular Weight: 237.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 71236-96-9.mol
  • Chemical Properties

    1. Melting Point: 94 °C
    2. Boiling Point: 256.2°C at 760 mmHg
    3. Flash Point: 108.8°C
    4. Appearance: /
    5. Density: 1.44g/cm3
    6. Vapor Pressure: 0.025mmHg at 25°C
    7. Refractive Index: 1.525
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE(71236-96-9)
    12. EPA Substance Registry System: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE(71236-96-9)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 71236-96-9(Hazardous Substances Data)

71236-96-9 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.

Check Digit Verification of cas no

The CAS Registry Mumber 71236-96-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,2,3 and 6 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 71236-96:
(7*7)+(6*1)+(5*2)+(4*3)+(3*6)+(2*9)+(1*6)=119
119 % 10 = 9
So 71236-96-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F3NO2S/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3

71236-96-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methylsulfanyl-2-nitro-4-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 1-methylthio-2-nitro-4-(trifluoromethyl)benzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:71236-96-9 SDS

71236-96-9Relevant articles and documents

Copper-catalyzed decarboxylative methylthiolation of aromatic carboxylate salts with DMSO

Hu, Liang,Wang, Dadian,Chen, Xiang,Yu, Lin,Yu, Yongqi,Tan, Ze,Zhu, Gangguo

supporting information, p. 5674 - 5679 (2017/07/22)

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

Fu, Zhengjiang,Li, Zhaojie,Xiong, Qiheng,Cai, Hu

supporting information, p. 7798 - 7802 (2015/02/19)

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

Rodygin, Konstantin S.,Rubtsova, Svetlana A.,Kutchin, Alexander V.,Slepukhin, Pavel A.

experimental part, p. 1885 - 1894 (2011/10/11)

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.

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