392-95-0

Basic information

• Product Name: 2-Chloro-3,5-dinitrobenzotrifluoride
• Synonyms: 2-Chlorine-3.5-binitrobenzotrifluoride;2-chloro-1,5-dinitro-3-(trifluoromethyl)-benzen;LABOTEST-BB LT00159813;2-CHLORO-3,5-DINITROBENZOTRIFLUORIDE;2-CHLORO-1,5-DINITRO-3-(TRIFLUOROMETHYL)BENZENE;2-Chlorine-3,5-Dinitrobenzotrifluoride;2-Choro-3,5-dinitrobenzotrifluoride;2-CHLORO-3,5-DINITROBENZOTRIFLUORIDE, 99 %
• CAS NO: 392-95-0
• Molecular Formula: C₇H₂ClF₃N₂O₄
• Molecular Weight: 270.55
• EINECS: 206-883-0
• Product Categories: Aromatics;Mutagenesis Research Chemicals;API Intermediate
• Mol File: 392-95-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 62-64 °C(lit.)
• Boiling Point: 250C
• Flash Point: 126.2 °C
• Appearance: white to light yellow crystal powder
• Density: 1.706 g/cm³
• Vapor Pressure: 28mmHg at 25°C
• Refractive Index: 1.377
• Water Solubility: Insoluble in water. Soluble in Chloroform, Methanol.
• BRN: 2061156
• CAS DataBase Reference: 2-Chloro-3,5-dinitrobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-3,5-dinitrobenzotrifluoride(392-95-0)
• EPA Substance Registry System: 2-Chloro-3,5-dinitrobenzotrifluoride(392-95-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-34-20/21/22
• Safety Statements: 26-37/39-36-45-36/37/39
• RIDADR: 1759
• WGK Germany: 3
• RTECS: CZ0525750
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 392-95-0(Hazardous Substances Data)

Usage

Description

2-Chloro-3, 5-dinitrobenzotrifluoride is a derivative of dinitrobenzotrifluoride. It is used as an important raw material and intermediate in organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs. It can also be used to increase mutagenic activity in the glutathione transferase mutant (C36). It can also be used in Ultrahigh-performance liquid chromatography tandem mass spectrometry (UPLC-MS) for determination of 20 free amino acids.

Chemical Properties

white to light yellow crystal powder

Uses

Different sources of media describe the Uses of 392-95-0 differently. You can refer to the following data:
1. A benzene derivative that increases mutagenic activity in the glutathione transferase mutant (C36).
2. It is used to increase mutagenic activity in the glutathione transferase mutant (C36).

Hazard

Low toxicity by inhalation. A severe skin and eye irritant.

References

https://www.alfa.com/en/catalog/A10446/ http://www.fishersci.ca/shop/products/2-chloro-3-5-dinitrobenzotrifluoride-98/aaa1761706 Lin, Qin Bao, et al. "Use of 4-chloro-3, 5-dinitrobenzotrifluoride (CNBF) Derivatization and Ultrahigh-performance Liquid Chromatography Tandem Mass Spectrometry for the Determination of 20 Free Amino Acids in Chinese Jujube Date." Food Analytical Methods 7.3(2014):571-579.

InChI:InChI=1/C7H2F6/c8-4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H

Upstream product

• 7664-93-9 sulfuric acid 
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• 7697-37-2 nitric acid 
• 88-16-4 1-chloro-2-(trifluoromethyl)benzene 

Downstream Products

• 320-16-1 2,4-dinitro-6-(trifluoromethyl)anisole 
• 104820-04-4 2-benzylthio-3,5-dinitrobenzotrifluoride 
• 65592-52-1 N,2-dimethyl-2',4'-dinitro-6'-trifluoromethyldiphenylamine 
• 1538612-62-2 1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-3-nitro-1H-1,2,4-triazole 
• 57729-81-4 2,4-dichloro-2',4'-dinitro-6'-trifluoromethyldiphenylamine 
• 62902-34-5 2,6-dibromo-2',4'-dinitro-4,6'-bis(trifluoromethyl)diphenylamine 
• 57729-72-3 (2-Chloro-6-nitro-4-trifluoromethyl-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine 
• 68151-94-0 Dimethyl-thiocarbamic acid S-[2-(2-dimethylcarbamoylsulfanyl-5-nitro-3-trifluoromethyl-phenyldisulfanyl)-4-nitro-6-trifluoromethyl-phenyl] ester 
• 57730-25-3 (4-Bromo-2-chloro-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine 
• 57730-27-5 (2-Bromo-4-methyl-6-nitro-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine 
• 57729-91-6 3-chloro-4-cyano-2',4'-dinitro-6'-trifluoromethyldiphenylamine 
• 57730-02-6 (2,4-Dinitro-6-trifluoromethyl-phenyl)-(4-fluoro-3-methyl-phenyl)-amine 
• 62902-32-3 2,4,6-Trifluoro-2',4'-dinitro-6'-(trifluoromethyl)diphenylamine 
• 62902-29-8 2,3,4,5,6-pentachloro-2',4'-dinitro-6'-trifluoromethyldiphenylamine 

Relevant articles and documents

Derivatization of aminoacids with fluorine containing markers - A way for their determination by 19F NMR spectroscopy

A new, water soluble marker, 2, suitable for analysis of aminoacid mixtures, as well as its derivatives 3 and 4 with several aminoacids have been prepared and characterized by NMR spectroscopy. Remarks on benzimidazole ring formation have been given.