392-51-8

Basic information

• Product Name: 1,3,5-trifluoro-2,4-dinitrobenzene
• CAS NO: 392-51-8
• Molecular Formula: C₆HF₃N₂O₄
• Molecular Weight: 222.0783
• Mol File: 392-51-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 318.1°C at 760 mmHg
• Flash Point: 146.2°C
• Density: 1.766g/cm³
• Vapor Pressure: 0.000687mmHg at 25°C
• Refractive Index: 1.537
• CAS DataBase Reference: 1,3,5-trifluoro-2,4-dinitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-trifluoro-2,4-dinitrobenzene(392-51-8)
• EPA Substance Registry System: 1,3,5-trifluoro-2,4-dinitrobenzene(392-51-8)

Safety Data

• Hazardous Substances Data: 392-51-8(Hazardous Substances Data)

Usage

Appearance

Yellow crystalline solid

Usage

a. Reagent in organic synthesis
b. Preparation of amines and nitrogen-containing compounds
c. Manufacture of dyes and pharmaceuticals

Chemical properties

a. Strong electrophile
b. Formation of carbon-carbon and carbon-nitrogen bonds

Toxicity

Toxic

Health hazards

a. Irritation to skin
b. Irritation to eyes
c. Irritation to respiratory system

Safety precautions

Avoid exposure

Upstream product

• 18708-70-8 2,4,6-trichloronitrobenzene 
• 372-38-3 1,3,5-trifluorobenzene 
• 315-14-0 1,3,5-trifluoro-2-nitrobenzene 

Downstream Products

• 1513885-62-5 2-ethylhexyl-3-[3-(3-(2-ethylhexyl)ureido)-2,4,6-trifluorophenyl]urea 
• 64884-83-9 N,2,6-Trinitro-3,5-difluoranilin 
• 64884-82-8 2,6-Dinitro-5-fluoro-1,3-phenylendiamin 
• 64884-81-7 3,5-Difluoro-2,6-dinitroaniline 
• 1423-11-6 1,3,5-trifluoro-2,4,6-trinitrobenzene 

Relevant articles and documents

Synthesis and 1-oxide/3-oxide interconversion of 4-substituted benzodifuroxans: A thorough NMR and theoretical study of the structure of 4-fluoro- and 4-chloro-benzodifuroxan

The synthesis of the new 4-fluorobenzodifuroxan has been performed in one step from 2,4,6-trifluoro-1,3-dinitrobenzene implying a safe synthesis. Importantly, due to the 1-oxide/3-oxide interconversion, NMR spectra have shown that this compound exists as

Orthohalogen substituents dramatically enhance hydrogen bonding of aromatic ureas in solution

The phenylurea moiety is a ubiquitous synthon in supramolecular chemistry. Here we report that the introduction of chlorine or bromine atoms in the ortho positions to the urea unit is a simple and very efficient way to improve its intermolecular hydrogen bond (HB) donor character. This effect was demonstrated in solution both in the context of self-association of bis-ureas and hydrogen bonding of mono-ureas to strong HB acceptors. The Royal Society of Chemistry 2014.