NITROMETHANE-D3
Synonym(s):Trideuteronitromethane
- CAS NO.：13031-32-8
- Empirical Formula: CD3NO2
- Molecular Weight: 64.06
- MDL number: MFCD00044214
- EINECS: 235-892-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-04 17:34:32
What is NITROMETHANE-D3?
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.
Properties of NITROMETHANE-D3
| Melting point: | -29°C |
| Boiling point: | 100 °C(lit.) |
| Density | 1.183 g/mL at 25 °C(lit.) |
| refractive index | n |
| 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) |
Safety information for NITROMETHANE-D3
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for NITROMETHANE-D3
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