68239-23-6

Basic information

• Product Name: 4-CHLORONITROBENZENE-D4
• Synonyms: 4-CHLORONITROBENZENE-D4;1-chloro-4-nitro(2H4)benzene;3-Chloro-6-nitro(1,2,4,5-2H4)benzene
• CAS NO: 68239-23-6
• Molecular Formula: C₆H₄ClNO₂
• Molecular Weight: 161.58
• EINECS: 269-435-3
• Product Categories: Isotope Labelled Compounds, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 68239-23-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 242°C at 760 mmHg
• Flash Point: 94.5°C
• Appearance: /
• Density: 1.427g/cm³
• Vapor Pressure: 0.0541mmHg at 25°C
• Refractive Index: 1.58
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 4-CHLORONITROBENZENE-D4(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORONITROBENZENE-D4(68239-23-6)
• EPA Substance Registry System: 4-CHLORONITROBENZENE-D4(68239-23-6)

Safety Data

• Hazardous Substances Data: 68239-23-6(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 68239-23-6 differently. You can refer to the following data:
1. 4-CHLORONITROBENZENE-D4 is a common intermediate in the production of a number of industrially useful compounds.
2. Isotope labelled 4-Chloronitrobenzene is a common intermediate in the production of a number of industrially useful compounds.

InChI:InChI=1/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1D,2D,3D,4D

Upstream product

• 3114-55-4 chlorobenzene-d⁽⁵⁾ 

Downstream Products

• 156268-51-8 4-Nitrobenzenesulfenyl-d4 chloride 
• 156268-49-4 N-<(4-Nitrophenyl-d4)thio>-7-tert-butyl-1-aminopyrene 
• 156268-43-8 p-Nitrobenzene-d4-thiol 

Relevant articles and documents

Generation, Isolation, and Characterization of N-(Arylthio)-7-tert-butyl- and N-(Arylthio)-2,7-di-tert-butyl-1-pyrenylaminyl Radicals

N-(Arylthio)-7-tert-butyl-1-pyrenylaminyl (2) and N--2,7-di-tert-butyl-1-pyrenylaminyl radicals (3) are prepared by PbO2 oxidation of N-(arylthio)-7-tert-butyl-1-aminopyrenes and N--2,7-di-tert-butyl-1-aminopyrene, respectively, and studied by ESR and ENDOR spectroscopy.The kinetic ESR study shows that, while aminyls 2 gradually decompose in solution at room temperature, aminyl 3 is quite persistent, even in refluxing benzene, and shows no tendency to dimerize, even at low temperatures.These interesting properties of 3 permit us to isolate 3 as radical crystals in 28-31percent yield.The hyperfine splitting (hfs) constants of 2 and 3, determined by ESR and ENDOR spectroscopic methods, show an extensive delocalization of the unpaired electron onto the pyrene ring.Comparison of the hfs constants of 2 and 3 shows that a more extensive delocalization of the spin into the pyrene ring takes place in 3.This is accounted for in terms of the difference in the conformations of 2 and 3.