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: 2026-05-27 22:50:48

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-d₃is 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 (C_2v symmetry) and a lighter top of CD₃ (C_3v 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	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)

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.