2,2-Dinitro-1,1-Ethenediamine
[CAS# 145250-81-3]

Identification

• Name: 2,2-Dinitro-1,1-Ethenediamine
• Synonyms: 1,1-Diamino-2,2-dinitroethylene; 2,2-Dinitro-1,1-ethylenediamine #
• Molecular Formula: C₂H₄N₄O₄
• Molecular Weight: 148.08
• CAS Registry Number: 145250-81-3
• SMILES: C(=C([N+](=O)[O-])[N+](=O)[O-])(N)N
• InChI: 1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2
• InChIKey: FUHQFAMVYDIUKL-UHFFFAOYSA-N

Properties

• Density: 1.689g/cm³ (Cal.)
• Boiling point: 194.6°C at 760 mmHg (Cal.)
• Flash point: 71.492°C (Cal.)
• Refractive index: 1.604 (Cal.)

References

• (1): DeCarlos E. Taylor, Fazle Rob, Betsy M. Rice, Rafal Podeszwa and Krzysztof Szalewicz. A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force field, Phys. Chem. Chem. Phys., 2011, 13, 16629.