Highly Thermally Stable Energetic Compounds Based on 6-Amino-5-nitropyrimidine,Crystal Growth & Design

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Highly Thermally Stable Energetic Compounds Based on 6-Amino-5-nitropyrimidine
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2023-06-19 , DOI: 10.1021/acs.cgd.3c00254
Xudong Wang ₁ , Zichang Zhao ₁ , Wei Huang ₁ , Yuji Liu ₁ , Yongxing Tang ₁

Affiliation

Two energetic materials (2 and 4) were designed and synthesized from 3,5-diamino-1,2,4-triazole (DAT) and 3,5-diamino-4-nitropyrazole (DANP) as starting materials. Both of them were fully characterized by NMR spectroscopy, IR spectroscopy, and single-crystal X-ray diffraction analysis. Compounds 2 (T_d = 295 °C) and 4 (T_d = 300 °C) exhibit good thermal stabilities by differential scanning calorimetry. The detonation performances (2: D = 7281 m s^–1, P = 18.6 GPa; 4: D = 7436 m s^–1, P = 20.5 GPa) were calculated by EXPLO5 software. Their mechanical sensitivities (2: IS > 20 J, FS = 360 N; 4: IS > 20 J, FS = 360 N) were measured by BAM standard tests. Both 2 and 4 exhibited high thermal stabilities, insensitive characteristics, and fair detonation performances, which give them good potential as heat-resistant explosives.

中文翻译：

基于 6-氨基-5-硝基嘧啶的高热稳定性含能化合物

以3,5-二氨基-1,2,4-三唑（DAT）和3,5-二氨基-4-硝基吡唑（DANP）为起始材料，设计并合成了两种含能材料（2和4 ）。两者均通过核磁共振光谱、红外光谱和单晶X射线衍射分析进行了充分表征。通过差示扫描量热法测定，化合物2 ( T _d = 295 °C) 和4 ( T _{d = 300 °C) 表现出良好的热稳定性。}爆炸性能 ( 2 : D = 7281 ms ^–1 , P = 18.6 GPa; 4 : D = 7436 ms ^–1，P = 20.5 GPa）由EXPLO5软件计算。它们的机械灵敏度（2：IS > 20 J，FS = 360 N；4：IS > 20 J，FS = 360 N）通过 BAM 标准测试测量。2和4均表现出高热稳定性、不敏感特性和良好的爆轰性能，这使它们具有作为耐热炸药的良好潜力。

更新日期：2023-06-19

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