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Nitro(1,1-2H2)Ethane
[CAS# 13031-33-9]

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Identification
Name Nitro(1,1-2H2)Ethane
Synonyms [1,1-2H2]nitroethane; 1,1-Dideuteronitroethane; Nitroethane-1,1-d2
Molecular Structure CAS#: 13031-33-9, Nitro(1,1-<Sup>2</Sup>H<Sub>2</Sub>)Ethane
Molecular Formula C2H3D2NO2
Molecular Weight 77.08
CAS Registry Number 13031-33-9
SMILES [2H]C([2H])([N+]([O-])=O)C
InChI 1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3/i2D2
InChIKey MCSAJNNLRCFZED-CBTSVUPCSA-N
Properties
Density 1.037g/cm3 (Cal.)
Boiling point 109.2°C at 760 mmHg (Cal.)
Flash point 32.8°C (Cal.)
Refractive index 1.382 (Cal.)
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