3828-41-9

Basic information

• Product Name: 2-CHLORO-1,3-DIFLUORO-5-NITRO-BENZENE
• Synonyms: 2-CHLORO-1,3-DIFLUORO-5-NITRO-BENZENE;4-chloro-3,5-difluoronitrobenzen;4-chloro-3,5-difluoronitrobenzene;Benzene, 2-chloro-1,3-difluoro-5-nitro-
• CAS NO: 3828-41-9
• Molecular Formula: C₆H₂ClF₂NO₂
• Molecular Weight: 193.5353864
• Mol File: 3828-41-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 41-42℃
• Boiling Point: 239℃
• Flash Point: 99℃
• Appearance: /
• Density: 1.591
• Vapor Pressure: 0.0623mmHg at 25°C
• Refractive Index: 1.531
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-CHLORO-1,3-DIFLUORO-5-NITRO-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-1,3-DIFLUORO-5-NITRO-BENZENE(3828-41-9)
• EPA Substance Registry System: 2-CHLORO-1,3-DIFLUORO-5-NITRO-BENZENE(3828-41-9)

Safety Data

• Hazardous Substances Data: 3828-41-9(Hazardous Substances Data)

Usage

General Description

2-Chloro-1,3-difluoro-5-nitrobenzene is a chemical compound with the molecular formula C6H3ClF2NO2. It is a substituted nitrobenzene derivative, featuring a chlorine atom, two fluoride atoms, and a nitro group. 2-CHLORO-1,3-DIFLUORO-5-NITRO-BENZENE is commonly used as an intermediate in organic synthesis, especially in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It is also used as a building block for the synthesis of dyes and pigments. 2-Chloro-1,3-difluoro-5-nitrobenzene is a colorless liquid at room temperature and is primarily used in industrial and laboratory settings for its reactivity in chemical reactions. It should be handled and stored with care due to its toxicity and potential hazards.

InChI:InChI=1/C6H2ClF2NO2/c7-6-4(8)1-3(10(11)12)2-5(6)9/h1-2H

Upstream product

• 880-78-4 pentafluoronitrobenzen 
• 60903-85-7 1-chloro-2,3,5,6-tetrafluoro-4-nitrobenzene 
• 50408-94-1 3-chloro-2,4-difluoro-6-nitroaniline 
• 658-07-1 2,6-Difluoro-4-nitrophenol 

Downstream Products

• 1979-25-5 2-(4-chloro-3,5-difluorophenoxy)acetic acid 
• 2268-03-3 4-chloro-3,5-difluoro-phenol 
• 392-25-6 1,3-difluoro-2-methoxy-5-nitrobenzene 
• 175435-38-8 4-chloro-3-fluoro-5-methoxynitrobenzene 
• 2613-33-4 4-chloro-3,5-difluorobenzenamine 

Relevant articles and documents

Catalyst-Free Hydrodefluorination of Perfluoroarenes with NaBH4

Presented is an economical means of removing fluorine from various highly fluorinated arenes using NaBH4. The procedure was adapted for different classes of perfluoroarenes. A novel isomer of an emerging class of organic dyes based on the carbazole phthalonitrile motif was succinctly synthesized in two steps from tetrafluorophthalonitrile, demonstrating the utility of the hydrodefluorination procedure. Initial exploration of the dye shows it to be photoactive and capable of facilitating contrathermodynamic styrenoid E/Z isomerization.

Charge control in the S(N)Ar reaction. Meta substitution with respect to the activating nitro group in 3,4-dihalogenonitrobenzenes

The reactions of 3-fluoro-4-chloronitrobenzene and of 3,5-difluoro-4-chloronitrobenzene with thiophenoxide anion lead to predominant substitution of the chlorine atom through S(N)Ar orbital-controlled processes. However, when harder nucleophiles (methoxide anion) are used, the substitution of a fluorine atom meta with respect to the activating nitro group becomes apparent in the reaction of 3-fluoro-4-chloronitrobenzene, predominant in the reaction of 5-fluoro-4-chloro-3-methyoxynitrobenzene, and almost exclusive in the reaction of 3,5-difluoro-4-chloronitrobenzene. Kinetic measurements and theoretical calculations indicate that the observed meta substitution of a fluorine atom is a S(N)Ar charge-controlled reaction with a loosely bonded transition state.