Abstract
An analogue-oriented synthetic route for the formulation of furazan-functionalized 5-nitroimino-1,2,4-triazoles has been explored. The process was found to be straightforward, high yielding, and highly efficient, and scalable. Nine compounds were synthesized and the physicochemical and energetic properties, including density, thermal stability, and sensitivity, were investigated, as well as the energetic performance (e.g., detonation velocities and detonation pressures) as evaluated by using EXPLO5 code. Among the new materials, compounds 4–6 and 11 possess high densities, acceptable sensitivities, and good detonation performances, and thereby demonstrate the potential applications as new secondary explosives.
| Original language | English |
|---|---|
| Pages (from-to) | 5877-5881 |
| Number of pages | 5 |
| Journal | Angewandte Chemie - International Edition |
| Volume | 56 |
| Issue number | 21 |
| DOIs | |
| State | Published - 15 May 2017 |
| Externally published | Yes |
Keywords
- X-ray diffraction
- density functional calculations
- energetic materials
- heterocycles
- structure elucidation
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