NITROMETHANE-D3 Chemical Properties

Melting point:

-29°C

Boiling point:

100 °C(lit.)

Density 

1.183 g/mL at 25 °C(lit.)

vapor pressure 

36 hPa ( 20 °C)

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)

Water Solubility 

117g/L

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,

InChI

1S/CH3NO2/c1-2(3)4/h1H3/i1D3

InChIKey

LYGJENNIWJXYER-FIBGUPNXSA-N

SMILES

[2H]C([2H])([2H])[N+]([O-])=O

CAS DataBase Reference

13031-32-8(CAS DataBase Reference)

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

F 

10

Autoignition Temperature

415°C

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

28459000

Storage Class

4.1A - Other explosive hazardous materials

Hazard Classifications

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

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

NITROMETHANE-D3 Usage And Synthesis

Chemical Properties

colourless liquid

Uses

• Asymmetric transformation of a double-stranded, dicopper(I) helicate containing achiral bis(bidentate) Schiff bases.: This study used Nitromethane-d₃ to investigate the asymmetric transformation in dicopper(I) helicates, providing insights into chiral synthesis and coordination chemistry applications (Habermehl et al., 2006).


• Reversing a rotaxane recognition motif: threading oligoethylene glycol derivatives through a dicationic cyclophane.: The research employed Nitromethane-d₃ in the synthesis and study of rotaxanes, focusing on molecular recognition and self-assembly processes important for developing advanced materials and nanotechnology (Chiu and Stoddart, 2002).

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 (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.

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