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Various energetic salts (3a–f) were obtained from 1,3,5-tris­[(2H-tetrazol-5-yl)­methyl]­isocyanurate (3), while N2,N4,N6-tri­(1H-tetrazol-5-yl)-1,3,5-triazine-2,4,6-triamine (5) and N,N′-{6-[(1H-tetrazol-5-yl)­amino]-1,3,5-triazine-2,4-diyl}­bis­[N-(1H-tetrazol-5-yl)­nitramide] (6) were obtained from cyanuric chloride via a simple, efficient two-step synthetic route from inexpensive starting materials. Compounds 3a–f and 6 show excellent detonation properties (VOD = 7876–8832 m s–1, and DP = 20.73–30.0 GPa), a high nitrogen content (>62%), and high positive heats of formation (205.2–1888.9 kJ mol–1) with excellent thermostability and remarkable insensitivity.

Various thermally stable energetic materials with high nitrogen content, low sensitivity and better detonation performance were synthesized. The versatile functionalization of 1,2,4-triazine involving the introduction of oxadiazole and tetrazole is...

Poly tetrazole-containing thermally stable and insensitive alkali metal-based 3D energetic metal–organic frameworks (EMOFs) are promising high energy density materials to balance the sensitivity, stability, and detonation performance of explosives in defense, space, and civilian applications. Herein, the self-assembly of L3– ligand with alkali metals Na­(I) and K­(I) was prepared at ambient conditions, introducing two new EMOFs, [Na3(L)3(H2O)6] n (1) and [K3(L)3(H2O)3] n (2). Single crystal analysis reveals that Na-MOF (1) exhibited a 3D wave-like supramolecular structure with significant hydrogen bonding among the layers, while K-MOF (2) also featured a 3D framework. Both EMOFs were thoroughly characterized by NMR, IR, PXRD, and TGA/DSC analyses. Compounds 1 and 2 show excellent thermal decomposition T d = 344 and 337 °C, respectively, compared to the presently used benchmark explosives RDX (210 °C), HMX (279 °C), and HNS (318 °C), which is attributed to structural reinforcement induced by extensive coordination. They also show remarkable detonation performance (VOD = 8500 m s–1, 7320 m s–1, DP = 26.74 GPa, 20 GPa for 1 and 2, respectively) and insensitivity toward impact and friction (IS ≥ 40 J, FS ≥ 360 N for 1; IS ≥ 40 J, FS ≥ 360 N for 2). Their excellent synthetic feasibility and energetic performance suggest that they are the perfect blend for the replacement of present benchmark explosives such as HNS, RDX, and HMX.

An attractive synthetic route was devaluped for making N‐(4‐(1,2,4‐oxadiazol‐3‐yl)‐1,2,5‐oxadiazol‐3‐yl) formamide (4) and di(1,2,4‐oxadiazol‐3‐yl) methanone O‐(nitrodi(1,2,4‐oxadiazol‐3‐yl)methyl) oxime (6) from commercially available inexpensive malononitrile starting material with easy purification, short experimental time and high yields at room temperature. The chemical structures of 4 and 6 were identified by NMR, IR, EA and verified by single‐crystal X‐ray studies. A plausible mechanism is proposed for the conversion of 4 to 6. Furthermore, both compounds have been evaluated for energetic applications. Based on their insensitive nature and good detonation performance, they are potential energetic materials.