EMAIL THIS PAGE TO A FRIEND
151963 Sigma-Aldrich

Nitromethane-d3

99 atom % D

Synonym: Trideuteronitromethane

  • CAS Number 13031-32-8

  • Linear Formula CD3NO2

  • Molecular Weight 64.06

  •  Beilstein/REAXYS Number 1751076

  •  EC Number 235-892-2

  •  MDL number MFCD00044214

  •  PubChem Substance ID 24849185

  •  NACRES NA.21

Purchase

Properties

Related Categories Alphabetical Listings, N-O, NMR Solvents, NMR Solvents and Reagents, Nitromethane-d3,
InChI Key   LYGJENNIWJXYER-FIBGUPNXSA-N
isotopic purity   99 atom % D
assay   99% (CP)
expl. lim.   7.1-63 % (lit.)
impurities   ≤0.1000% water
water
refractive index   n20/D 1.3795 (lit.)
bp   100 °C (lit.)
mp   -29 °C (lit.)
density   1.183 g/mL at 25 °C (lit.)
mass shift   M+3

Description

General description

Nitromethane-d3 is a deuterated derivative of nitromethane. Its pyrolytic decomposition in the absence and presence of nitrogen dioxide have been studied. Molecular structure studies suggest that its molecule is composed of a highly asymetrical top consisting of a heavy planar frame of NO2 (C2v symmetry) and a lighter top of CD3 (C3v symmetry). Rotational constants, high-resolution Fourier transform infrared (FTIR) spectrum and DFT (Density Functional Theory) calculations of nitromethane-d3 have been evaluated. Various physicochemical properties (densities, viscosities, speed of sound and refractive indices) of CD3NO2 have been evaluated in the temperature range of 293K to 308K.

Packaging

10×1 mL in ampule

25 g in glass bottle

5, 10 g in ampule

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN1261 - class 3 - PG 2 - Nitromethane
WGK Germany 
2
Flash Point(F) 
95 °F
Flash Point(C) 
35 °C

Dispensette™ S
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Related Content

Properties of Solvents Table

The table below presents the physical characteristics of common solvents. Easily reference or compare solvent properties like boiling point, density, and refractive index all from one list.
Keywords: Gas chromatography, Green chemistry, High performance liquid chromatography, Melting, Solvents

Peer-Reviewed Papers
15

References

Related Products

accessory

Product #

Description

Add to Cart

Z693847 Scienceware® Break-Safe ampule opener

Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Bulk Ordering & Pricing:

Need larger quantities for your development, manufacturing or research applications?