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- W2008991623 abstract "The title compound, 1,3-dinitramino-2-nitroxy-propane (1) was prepared in high yield (85 %) and characterized by multinuclear NMR (1H, 13C, 14N) and vibrational (IR, Raman) spectroscopy. The molecular structure in the solid state was elucidated by single crystal X-ray diffraction. 1 crystallizes in the orthorhombic space group Pnma with a crystal density of ρ = 1.798 g cm−3. Compound 1 melts at 166 °C and decomposes at 168 °C. The impact (7 J), friction (96 N) and electrostatic discharge sensitivities (0.6 J) were determined experimentally. The detonation parameters of 1 were calculated using a combined quantum chemical (CBS-4M) calculation and a chemical equilibrium calculation based on the steady-state model of detonation: Q = −5998 kJ kg−1, P = 339 kbar, D = 8895 m s−1. The experimentally determined detonation velocity (fiber optic method) agrees well with the calculated values. In comparison with picric acid (PA) and nitropenta (PETN), compound 1 shows superior detonation characteristics when detonated in a confined space." @default.
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- W2008991623 date "2008-12-01" @default.
- W2008991623 modified "2023-09-24" @default.
- W2008991623 title "Synthesis, Structure, Chemical and Energetic Characterization of 1,3-Dinitramino-2-nitroxy-propane" @default.
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- W2008991623 doi "https://doi.org/10.1002/zaac.200800342" @default.
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