Nitromethane-d₃

ALDRICH/151963 - 99 atom % D

Synonym: Trideuteronitromethane

CAS Number: 13031-32-8
Empirical Formula (Hill Notation): CD₃NO₂
Molecular Weight: 64.06
EC Number: 235-892-2
MDL Number: MFCD00044214
Linear Formula: CD₃NO₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-151963-10X1ML	1 mL	$366.00 1/EA		Add To Favorites
45-151963-5G	5 g	$86.80 1/EA		Add To Favorites
45-151963-10G	10 g	$213.00 1/EA		Add To Favorites
45-151963-25G	25 g	$515.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99% (CP)
bp	100 °C (lit.)
density	1.183 g/mL at 25 °C (lit.)
expl. lim.	7.1-63 % (lit.)
form	liquid
impurities	≤0.1000% water water
InChI	1S/CH3NO2/c1-2(3)4/h1H3/i1D3
InChI key	LYGJENNIWJXYER-FIBGUPNXSA-N
isotopic purity	99 atom % D
mass shift	M+3
mp	-29 °C (lit.)
Quality Level	100
refractive index	n20/D 1.3795 (lit.)
SMILES string	[2H]C([2H])([2H])[N+]([O-])=O
technique(s)	NMR: suitable

Application:	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 ).
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.
Packaging:	10×1 mL in ampule
Packaging:	25 g in glass bottle
Packaging:	5, 10, 5×10 g in ampule
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Symbol	GHS02,GHS07
Signal word	Warning
Hazard statements	H226 - H302
Precautionary statements	P210 - P233 - P240 - P241 - P242 - P301 + P312
Hazard Codes	Xn
Risk Statements	5-10-22
Safety Statements	41
RIDADR	UN1261 - class 3 - PG 2 - Nitromethane
WGK Germany	WGK 2
Flash Point(F)	111.2 °F
Flash Point(C)	44 °C

Purity	99% (CP)
bp	100 °C (lit.)
mp	-29 °C (lit.)
Density	1.183 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.3795 (lit.)
UNSPSC	12142201

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