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151963 Aldrich

Nitromethane-d3

99 atom % D

Synonym: Trideuteronitromethane

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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)
refractive index   n20/D 1.3795(lit.)
bp   100 °C(lit.)
density   1.183 g/mL at 25 °C(lit.)
mass shift   M+3

Description

Packaging

25 g in glass bottle

5, 10 g in ampule

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.

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Stable Isotope
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
Protocols & Articles
Peer-Reviewed Papers
15

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