Description
Nitromethane-d3 99 atom % D, 10G
Synonym(s):
Trideuteronitromethane
Linear Formula:
CD3NO2
CAS Number:
13031-32-8
Molecular Weight:
64.06
Beilstein/REAXYS Number:
1751076
EC Number:
235-892-2
MDL number:
MFCD00044214
PubChem Substance ID:
24849185
NACRES:
NA.21
Quality Level
100,
isotopic purity
99 atom % D
assay
99% (CP)
form
liquid
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
SMILES string
[2H]C([2H])([2H])[N+]([O-])=O
InChI
1S/CH3NO2/c1-2(3)4/h1H3/i1D3
Inchi Key
LYGJENNIWJXYER-FIBGUPNXSA-N
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
5, 10 g in ampule
25 g in glass bottle
Pictograms
GHS02,GHS07
Signal Word
Warning
Hazard Statements
H226 - H302
Precautionary Statements
P210 - P233 - P240 - P241 - P242 - P301 + P312
RIDADR
UN1261 - class 3 - PG 2 - Nitromethane
WGK Germany
WGK 2
Flash Point(F)
111.2 °F
Flash Point(C)
44 °C