68239-25-8

Basic information

• Product Name: 4'-NITROACETANILIDE-2',3',5',6'-D4
• Synonyms: 4'-NITROACETANILIDE-2',3',5',6'-D4;N-(4-nitro[2,3,5,6-2H4]phenyl)acetamide;4'-Nitroacetanilide--d4
• CAS NO: 68239-25-8
• Molecular Formula: C₈H₈N₂O₃
• Molecular Weight: 184.185367112
• EINECS: 269-437-4
• Mol File: 68239-25-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 408.9°Cat760mmHg
• Flash Point: 201.1°C
• Appearance: /
• Density: 1.37g/cm³
• Vapor Pressure: 6.77E-07mmHg at 25°C
• Refractive Index: 1.617
• CAS DataBase Reference: 4'-NITROACETANILIDE-2',3',5',6'-D4(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-NITROACETANILIDE-2',3',5',6'-D4(68239-25-8)
• EPA Substance Registry System: 4'-NITROACETANILIDE-2',3',5',6'-D4(68239-25-8)

Safety Data

• Hazardous Substances Data: 68239-25-8(Hazardous Substances Data)

Usage

Uses

4''-Nitroacetanilide-2'',3'',5'',6''-d4 (CAS# 68239-25-8) is a useful isotopically labeled research compound.

InChI:InChI=1/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)/i2D,3D,4D,5D

Upstream product

• 1076-43-3 benzene-d6 
• 4165-60-0 nitrobenzene-d5 
• 15826-91-2 acetanilide-d5 
• 4165-61-1 aniline-d5 

Downstream Products

• 64164-08-5 4-nitro-2,3,5,6-tetradeuterioaniline 
• 162585-54-8 4-nitrophenyl-2,3,5,6-d4-hydrazine 

Relevant articles and documents

Deuterated Derivatives of 3,5-Dimethyl-1-(4-nitrophenyl)pyrazole for Nonlinear Optical Materials

A weak absorption of laser light by a nonlinear optical crystal causes a noticeable temperature rise in the crystal.Such absorption may undesirably shift the reflactive indices (some optical characteristics) of the crystal. 3,5-dimethyl-1-(4-nitrophenyl)pyrazole , an excellent nonlinear optical material, was deuterated in order to suppress its absorption in the 1 μm wavelength region.Three deuterated derivatives were synthesized; their crystal structures were identical with that of DMNP.The deuteration of the pyrazole part including the two methyl moieties proved to be more effective than deuteration of the phenyl part (benzene ring) with regard to a reduction of the IR absorption.A good correlation was confirmed between the temperature elevation under laser irradiation and IR absorption.