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 white to light yellow crystal powder, a derivative of dinitrobenzotrifluoride, and is recognized for its significant role as an important raw material and intermediate in various industries, including organic synthesis, pharmaceuticals, agrochemicals, and dyes.

Uses

Used in Organic Synthesis:
2-Chloro-3,5-dinitrobenzotrifluoride is used as a key intermediate in the synthesis of various organic compounds due to its unique chemical properties.
Used in Pharmaceuticals:
In the pharmaceutical industry, 2-Chloro-3,5-dinitrobenzotrifluoride is utilized as a crucial raw material for the development of new drugs, contributing to the advancement of medical treatments.
Used in Agrochemicals:
2-Chloro-3,5-dinitrobenzotrifluoride is also employed in the agrochemical sector, where it serves as an essential intermediate for the production of various agrochemical products.
Used in Dyestuffs:
2-Chloro-3,5-dinitrobenzotrifluoride is used in the dyestuff industry to create a range of dyes, enhancing the color and quality of textiles and other materials.
Used in Glutathione Transferase Mutant (C36):
2-Chloro-3,5-dinitrobenzotrifluoride is used to increase mutagenic activity in the glutathione transferase mutant (C36), which can be beneficial for research and development in the field of genetics and molecular biology.
Used in Ultrahigh-performance Liquid Chromatography Tandem Mass Spectrometry (UPLC-MS):
In the field of analytical chemistry, 2-Chloro-3,5-dinitrobenzotrifluoride is employed for the determination of 20 free amino acids using UPLC-MS, a powerful technique for the analysis of complex biological samples.

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

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Downstream Products

• 320-16-1 2,4-dinitro-6-(trifluoromethyl)anisole 
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• 84529-28-2 ethyl-(2,4-dinitro-6-trifluoromethyl-phenyl)-phenyl-amine 
• 340-85-2 N,N-dimethyl-2,4-dinitro-6-trifluoromethyl-aniline 
• 63333-31-3 N-(2,4-dinitro-6-trifluoromethylphenyl)aniline 
• 363-87-1 N-methyl-2,4-dinitro-6-trifluoromethyl-aniline 
• 57729-93-8 (4-Chloro-3-nitro-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine 
• 57729-67-6 2-(2,4-Dinitro-6-trifluoromethyl-phenylamino)-5-nitro-benzonitrile 
• 57729-80-3 2,5-dichloro-2',4'-dinitro-6'-trifluoromethyldiphenylamine 
• 57730-22-0 (2,4-Dinitro-6-trifluoromethyl-phenyl)-(2-fluoro-phenyl)-amine 
• 57729-92-7 (3-Chloro-4-fluoro-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine 
• 62902-31-2 2',4'-dinitro-4,6'-bis(trifluoromethyl)diphenylamine 
• 57730-11-7 (2,5-Dibromo-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine 
• 57729-89-2 (2,4-Dinitro-6-trifluoromethyl-phenyl)-(2-methyl-6-nitro-phenyl)-amine 

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.