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2,4-Dinitrotoluene-alpha,alpha,alpha-D3
[CAS# 70786-68-4]

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Identification
Name 2,4-Dinitrotoluene-alpha,alpha,alpha-D3
Molecular Structure CAS#: 70786-68-4, 2,4-Dinitrotoluene-alpha,alpha,alpha-D3
Molecular Formula C7H3D3N2O4
Molecular Weight 185.15
CAS Registry Number 70786-68-4
SMILES C1=C([N+](=O)[O-])C=CC(=C1[N+](=O)[O-])C([2H])([2H])[2H]
InChI 1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3/i1D3
InChIKey RMBFBMJGBANMMK-FIBGUPNXSA-N
Properties
Density 1.431g/cm3 (Cal.)
Boiling point 299.887°C at 760 mmHg (Cal.)
Flash point 146.943°C (Cal.)
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