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Nitromethane-d3

ALDRICH/151963 - 99 atom % D

Synonym: Trideuteronitromethane

CAS Number: 13031-32-8
Empirical Formula (Hill Notation): CD3NO2
Molecular Weight: 64.06
EC Number: 235-892-2
MDL Number: MFCD00044214
Linear Formula: CD3NO2
Product Type: Chemical

Catalog Number PKG Qty. Price Quantity
45-151963-10X1ML 1 mL
$366.00
1/EA
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45-151963-5G 5 g
$86.80
1/EA
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45-151963-10G 10 g
$213.00
1/EA
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45-151963-25G 25 g
$515.00
1/EA
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assay 99% (CP)
bp 100 °C (lit.)
density 1.183 g/mL at 25 °C (lit.)
expl. lim. 7.1-63 % (lit.)
form liquid
impurities ≤0.1000% water
water
InChI 1S/CH3NO2/c1-2(3)4/h1H3/i1D3
InChI key LYGJENNIWJXYER-FIBGUPNXSA-N
isotopic purity 99 atom % D
mass shift M+3
mp -29 °C (lit.)
Quality Level 100 
refractive index n20/D 1.3795 (lit.)
SMILES string [2H]C([2H])([2H])[N+]([O-])=O
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
Packaging: 25 g in glass bottle
Packaging: 5, 10 g in ampule
Purity 99% (CP)
bp 100 °C (lit.)
mp -29 °C (lit.)
Density 1.183 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.3795 (lit.)
UNSPSC 12142201

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