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NITROMETHANE-D3

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NITROMETHANE-D3 Basic information

Product Name:
NITROMETHANE-D3
Synonyms:
  • NITROMETHANE-D3
  • Perdeuterionitromethane
  • TRIDEUTERONITROMETHANE
  • NITROMETHANE-D3 DEUTERATION DEGREE MIN.
  • Nitromethane-d3, Isotopic
  • Nitromethane-d3 >= 99.6 atom %D
  • Perdeuteronitromethane
  • Trideuterionitromethane
CAS:
13031-32-8
MF:
CD3NO2
MW:
64.06
EINECS:
235-892-2
Mol File:
13031-32-8.mol
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NITROMETHANE-D3 Chemical Properties

Melting point:
-29°C
Boiling point:
100 °C(lit.)
Density 
1.183 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.3795(lit.)
Flash point:
95 °F
storage temp. 
Store at +15°C to +25°C.
solubility 
117g/l
form 
Liquid
color 
Colorless
explosive limit
7.1-63%(V)
Sensitive 
Hygroscopic
BRN 
1751076
Exposure limits
ACGIH: TWA 20 ppm
OSHA: TWA 100 ppm(250 mg/m3)
NIOSH: IDLH 750 ppm
Stability:
May detonate if sensitized by amines, alkalies, strong acids, high temperatures or adiabatic compression. The dry alkali or amine salts are shock-sensitive and the sodium salt ignites on contact with water. Flammable. Incompatible with amines, strong acids, strong bases, strong oxidizing agents, strong reducing agents, copper, copper alloys,
CAS DataBase Reference
13031-32-8(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
5-10-22-2005/10/22
Safety Statements 
41
RIDADR 
UN 1261 3/PG 2
WGK Germany 
3
10
TSCA 
Yes
HazardClass 
3
PackingGroup 
II
HS Code 
28459000

MSDS

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NITROMETHANE-D3 Usage And Synthesis

Chemical Properties

colourless liquid

Definition

ChEBI: Nitromethane-d3 is a deuterated compound, a primary nitroalkane and a volatile organic compound.

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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