Nitromethane-d3 99 atom D, 10G

SKU:
151963-10G
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    • Description

    Nitromethane-d3 99 atom % D, 10G

    Synonym(s):
    Trideuteronitromethane
    Linear Formula:
    CD3NO2
    CAS Number:
    13031-32-8
    Molecular Weight:
    64.06
    Beilstein/REAXYS Number:
    1751076
    EC Number:
    235-892-2
    MDL number:
    MFCD00044214
    PubChem Substance ID:
    24849185
    NACRES:
    NA.21

    Quality Level

    100,

    isotopic purity

    99 atom % D

    assay

    99% (CP)

    form

    liquid

    expl. lim.

    7.1-63 % (lit.)

    impurities

    ≤0.1000% water
    water

    refractive index

    n20/D 1.3795 (lit.)

    bp

    100 °C (lit.)

    mp

    -29 °C (lit.)

    density

    1.183 g/mL at 25 °C (lit.)

    mass shift

    M+3

    SMILES string

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

    InChI

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

    Inchi Key

    LYGJENNIWJXYER-FIBGUPNXSA-N

    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.

    Packaging

    10×1 mL in ampule
    5, 10 g in ampule
    25 g in glass bottle

    Pictograms

    GHS02,GHS07

    Signal Word

    Warning

    Hazard Statements

    H226 - H302

    Precautionary Statements

    P210 - P233 - P240 - P241 - P242 - P301 + P312

    RIDADR

    UN1261 - class 3 - PG 2 - Nitromethane

    WGK Germany

    WGK 2

    Flash Point(F)

    111.2 °F

    Flash Point(C)

    44 °C