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Bis(3-nitro-1-(trinitromethyl) -1H-1,2,4-triazol-5-yl)methanone: An Applicable and Very Dense Green Oxidizer
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2019-11-28 , DOI: 10.1021/jacs.9b11326 Gang Zhao 1 , Ping Yin 2 , Dheeraj Kumar 3 , Gregory H Imler 4 , Damon A Parrish 4 , Jean'ne M Shreeve 1
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2019-11-28 , DOI: 10.1021/jacs.9b11326 Gang Zhao 1 , Ping Yin 2 , Dheeraj Kumar 3 , Gregory H Imler 4 , Damon A Parrish 4 , Jean'ne M Shreeve 1
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Ammonium perchlorate (AP) is most often used as the practical solid rocket propellant because of its excellent performance. However, AP has many shortcomings including instability, high negative enthalpy of formation, and claimed health and environmental issues resulting from its combustion products. The pursuit of highly dense, high performance and environmentally friendly oxidizers as solid propellants has long attracted scientists around the world. In this work, bis(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)methanone (3) was obtained from bis(3-nitro-1H-1,2,4-triazol-5-yl)methane (1) with chloroacetone followed by nitration. The structure of 3 was confirmed by elemental analysis and X-ray single crystal diffraction. By introducing the carbonyl moiety, the density of 3 was increased to 1.945 g/cm3 and the decomposition temperature increased to 164 oC. Compound 3 is a green energetic oxidizer that has a positive oxygen balance (+8.7 %), high specific impulse (218 s) and an acceptable sensitivity (9J, 240N) making it a practi-cal replacement for AP in solid rocket.
中文翻译：
双（3-硝基-1-（三硝基甲基）-1H-1,2,4-三唑-5-基）甲酮：一种适用的非常致密的绿色氧化剂
高氯酸铵 (AP) 因其优异的性能而最常用作实用的固体火箭推进剂。然而，AP 有许多缺点，包括不稳定性、高负生成焓以及其燃烧产物导致的健康和环境问题。追求高密度、高性能和环保的氧化剂作为固体推进剂长期以来一直吸引着世界各地的科学家。在这项工作中，双（3-硝基-1-（三硝基甲基）-1H-1,2,4-三唑-5-基）甲酮（3）从双（3-硝基-1H-1,2,4 -三唑-5-基)甲烷 (1) 与氯丙酮，然后硝化。通过元素分析和X射线单晶衍射证实了3的结构。通过引入羰基部分，3的密度增加到1。945 g/cm3，分解温度升至 164 oC。化合物 3 是一种绿色高能氧化剂，具有正氧平衡 (+8.7%)、高比冲 (218 s) 和可接受的灵敏度 (9J, 240N)，使其成为固体火箭中 AP 的实用替代品。
更新日期：2019-11-28
中文翻译：
双（3-硝基-1-（三硝基甲基）-1H-1,2,4-三唑-5-基）甲酮：一种适用的非常致密的绿色氧化剂
高氯酸铵 (AP) 因其优异的性能而最常用作实用的固体火箭推进剂。然而，AP 有许多缺点，包括不稳定性、高负生成焓以及其燃烧产物导致的健康和环境问题。追求高密度、高性能和环保的氧化剂作为固体推进剂长期以来一直吸引着世界各地的科学家。在这项工作中，双（3-硝基-1-（三硝基甲基）-1H-1,2,4-三唑-5-基）甲酮（3）从双（3-硝基-1H-1,2,4 -三唑-5-基)甲烷 (1) 与氯丙酮，然后硝化。通过元素分析和X射线单晶衍射证实了3的结构。通过引入羰基部分，3的密度增加到1。945 g/cm3，分解温度升至 164 oC。化合物 3 是一种绿色高能氧化剂，具有正氧平衡 (+8.7%)、高比冲 (218 s) 和可接受的灵敏度 (9J, 240N)，使其成为固体火箭中 AP 的实用替代品。
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