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269832

Sigma-Aldrich

Nitromethane-d3

99 atom % D

Synonym(s):

Trideuteronitromethane

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About This Item

Linear Formula:
CD3NO2
CAS Number:
13031-32-8
Molecular Weight:
64.06
Beilstein:
1751076
EC Number:
235-892-2
MDL number:
MFCD00044214
UNSPSC Code:
12142201
PubChem Substance ID:
24856173

isotopic purity

99 atom % D

Assay

≥98.50%

form

liquid

expl. lim.

7.1-63 % (lit.)

packaging

pk of 10 × 1 mL

technique(s)

NMR: suitable

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

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Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Flam. Liq. 3 - Repr. 2

Storage Class Code

4.1A - Other explosive hazardous materials

WGK

WGK 2

Flash Point(F)

95.0 °F - closed cup

Flash Point(C)

35 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW7447V
MKBM1343V
MKBJ5472V
MKBH1319V
MKBB0082

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Pyrolysis of nitromethane-d3.
Crawforth CG and Waddington DJ.
The Journal of Physical Chemistry, 74(4), 2793-2796 (1970)
DFT molecular structure and initial assignment for the FTIR spectrum of ?7 band of nitromethane-D3.
Pal C and Kshirsagar RJ.
Indian J. Phys., 84(8), 929-937 (2010)
Isotope effects on selected physicochemical properties of nitromethane and 1-pentanol.
Makowska A and Szydlowski J.
Nukleonika, 51, 81-85 (2006)

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