5580-79-0

Basic information

• Product Name: 2,3,4,5-Tetrafluoronitrobenzene
• Synonyms: 2,3,4,5-TETRAFLUORONITROBENZENE;1-NITRO-2,3,4,5-TETRAFLUOROBENZENE;4-fluro-3-nitrobenzoic acid;2,3,4,5-Tetrafluoronitrobenzene 99%;2,3,4,5-Tetrafluoronitrobenzene99%;Benzene, 1,2,3,4-tetrafluoro-5-nitro-;1,2,3,4-Tetrafluoro-5-nitrobenzene;2,3,4,5-Tetrafluoronitrobenzene ,98%
• CAS NO: 5580-79-0
• Molecular Formula: C₆HF₄NO₂
• Molecular Weight: 195.07
• EINECS: 226-972-8
• Product Categories: Aromatic Halides (substituted);Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Aromatics;Miscellaneous Reagents
• Mol File: 5580-79-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 80 °C24 mm Hg(lit.)
• Flash Point: 178 °F
• Appearance: clear yellow liquid
• Density: 1.618 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.13mmHg at 25°C
• Refractive Index: n20/D 1.473(lit.)
• Storage Temp.: Refrigerator
• Solubility: Chloroform
• CAS DataBase Reference: 2,3,4,5-Tetrafluoronitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5-Tetrafluoronitrobenzene(5580-79-0)
• EPA Substance Registry System: 2,3,4,5-Tetrafluoronitrobenzene(5580-79-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 5580-79-0(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid

Uses

2,3,4,5-Tetrafluoronitrobenzene (cas# 5580-79-0) is a compound useful in organic synthesis.

General Description

2,3,4,5-Tetrafluoronitrobenzene is a polyfluoroarene. Mercuration of 2,3,4,5-tetrafluoronitrobenzene has been reported. It reacts with thioureas to afford para substituted diaryl sulphides. The nucleophilic aromatic substitution reactions of 2,3,4,5-tetrafluoronitrobenzene with methanol has been reported.

InChI:InChI=1/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H

Upstream product

• 880-78-4 pentafluoronitrobenzen 
• 551-62-2 1,2,3,4-tetrafluorobenzene 

Downstream Products

• 5580-83-6 1-bromo-2-nitrotetrafluorobenzene 
• 5580-80-3 2,3,4,5-tetrafluoroaniline 
• 96631-27-5 1,5-Diethoxy-2-fluoro-4-nitro-benzene 
• 66684-57-9 1,2,5-trifluoro-3-nitrobenzene 
• 66684-58-0 3,4,5-trifluoronitrobenzene 
• 66684-66-0 1,3,4-trifluoro-2-methoxy-5-nitrobenzene 
• 870447-65-7 (S)-N-[[3-[2,3,5-trifluoro-4-[4-(acetoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide 
• 870447-64-6 (S)-N-[[3-[2,3,5-trifluoro-4-(4-piperazin-1-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide 
• 870447-67-9 4-[4-(benzyloxycarbonyl)amino-2,3,6-trifluorophenyl]morpholine 

Relevant articles and documents

Transition-Metal-Free Catalytic Hydrodefluorination of Polyfluoroarenes by Concerted Nucleophilic Aromatic Substitution with a Hydrosilicate

A transition-metal-free catalytic hydrodefluorination (HDF) reaction of polyfluoroarenes is described. The reaction involves direct hydride transfer from a hydrosilicate as the key intermediate, which is generated from a hydrosilane and a fluoride salt. The eliminated fluoride regenerates the hydrosilicate to complete the catalytic cycle. Dispersion-corrected DFT calculations indicated that the HDF reaction proceeds through a concerted nucleophilic aromatic substitution (CSNAr) process.

Copper-catalyzed hydrodefluorination of fluoroarenes by copper hydride intermediates

Breaking bad: Efficient copper-catalyzed C-F bond activation has been achieved by replacing fluorine with hydrogen. A copper hydride is proposed as the active intermediate, which proceeds through a nucleophilic attack on the fluorocarbon, as determined by experimental and theoretical results (see structure; C gray, H white, Cu light red, F light blue; distances in ?).

Trifluoro- quinoline -3- carboxylic acids and their use as anti-bacterial agents

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