2,2,2-trinitroethyl 4,4,4-trinitrobutanoate | 866-65-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2,2-trinitroethyl 4,4,4-trinitrobutanoate
• 英文别名: 4,4,4-Trinitro-buttersaeure-<2,2,2-trinitro-aethylester>；4,4,4-Trinitro-buttersaeure-2,2,2-trinitroethylester；2,2,2-Trinitro-aethyl-4,4,4-trinitro-butyrat；2,2,2-Trinitroethyl-4,4,4-trinitrobutyrat；4,4,4-Trinitro-buttersaeure-(2,2,2-trinitro-aethylester)；Butyric acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester
• CAS: 866-65-9
• 化学式: C₆H₆N₆O₁₄
• 分子量: 386.145
• InChiKey: IAVWMTSJZOZYCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  301
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  三硝基甲烷 生成 2,2,2-trinitroethyl 4,4,4-trinitrobutanoate
  参考文献：
  名称：

  FRANKEL, M. B.;FLANAGAN, J. E.

  摘要：

  DOI：

文献信息

• Convenient synthesis of energetic polynitro materials including (NO₂)₃CCH₂CH₂NH₃-salts<i>via</i>Michael addition of trinitromethane
  作者：Quirin J. Axthammer、Thomas M. Klapötke、Burkhard Krumm、Regina Scharf、Cornelia C. Unger

  DOI：10.1039/c6dt03779h

  日期：——

  nitroform with acrylamide creates a variety of energetic products. Several interesting compounds with a trinitromethyl group were synthesized, among them salts containing the trinitropropylammonium cation, [(NO2)3CCH2CH2NH3]X. Owing to their positive oxygen balance, the suitability of these compounds as potential high-energy dense oxidizers (HEDOs) in energetic formulations was investigated and discussed

  硝基酰胺与丙烯酰胺的亲核迈克尔加成生成各种高能产物。合成了几种具有三硝基甲基的有趣化合物，其中包括含有三硝基丙基铵阳离子的盐，[（NO 2）3 CCH 2 CH 2 NH 3]X。由于它们的正氧平衡，因此研究和讨论了这些化合物在高能配方中作为潜在的高能致密氧化剂（HEDO）的适用性。此外，提出了许多重要的和反应性的化合物，用于继续合成具有高氧平衡的分子。所有化合物均经过充分表征，包括多核NMR光谱，振动分析（IR，拉曼光谱），元素分析以及单晶X射线衍射。使用差示扫描量热法研究了热稳定性，并收集了对摩擦，冲击和静电放电的敏感性数据。使用高斯09计算形成的能量，并使用EXPLO5（V6）预测高能特性，例如比冲和爆轰速度。
• Nanocomposite for combustion applications
  申请人：Buckner Steven Wayne

  公开号：US10173945B1

  公开（公告）日：2019-01-08

  The present invention generally concerns isolated nanoparticles via the decomposition of a ternary metal hydride. More specifically, the present invention harnesses increased energy densities from two distinct nanoparticles isolated by a precise decomposition of LiAlH4. The singular material is air stable and is a nanocomposite of Li3AlH6 nanoparticles, elemental Al nanoparticles, an amount of Ti metal, and a nanoscale organic layer, which we call nMx. The nanocomposite protects and preserves the high energy densities of the core metals isolated from the controlled reaction and makes the nanoparticles safe to handle in air. The final composite is devoid of byproducts or phase transitions that will decrease the energy output of the nanocomposite. The method of the present invention creates a narrow distribution of nanoparticles that have unique burning characteristics useful for many applications.

  本发明一般涉及通过分解三元金属氢化物分离出的纳米粒子。更具体地说，本发明利用通过精确分解 LiAlH4 分离出来的两种不同的纳米粒子来提高能量密度。这种奇异的材料在空气中稳定，是一种由 Li3AlH6 纳米粒子、元素 Al 纳米粒子、一定量的金属 Ti 和纳米级有机层（我们称之为 nMx）组成的纳米复合材料。这种纳米复合材料可以保护和保存从受控反应中分离出来的核心金属的高能量密度，并使纳米粒子在空气中的处理变得安全。最终的复合材料没有副产品或相变，不会降低纳米复合材料的能量输出。本发明的方法可产生窄分布的纳米颗粒，它们具有独特的燃烧特性，可用于多种应用。
• Explosive microporous coordination polymers
  申请人：The Regents of the University of Michigan

  公开号：US10472299B2

  公开（公告）日：2019-11-12

  Employing non-energetic MCPs as hosts (fuel) for the adsorption of oxidant molecules enables the intimate and molecular scale mixing of fuel and oxidizer on a level that is not commonly achievable in traditional energetic mixtures. The adsorption of the oxidants into MOF-5 resulted in increased heat released upon decomposition, which shows potential for utilization of this method as a platform to develop high-performance primary energetic materials.

  利用非能源 MCP 作为吸附氧化剂分子的宿主（燃料），可以实现燃料和氧化剂在分子尺度上的亲密混合，而这在传统的能源混合物中是无法实现的。将氧化剂吸附到 MOF-5 中可增加分解时释放的热量，这表明利用这种方法作为开发高性能初级能源材料的平台具有潜力。
• Nano-enhanced explosive material
  申请人：Saint Louis University

  公开号：US10766832B1

  公开（公告）日：2020-09-08

  The present invention generally concerns a nano-enhanced explosive that is integrated at many points across an explosive train. More specifically, a nano-enhanced explosive is formed when a nanocomposite we call nMx is combined with a secondary high explosive. nMx is made of Li3AlH6 nanoparticles, elemental Al nanoparticles, an amount of Ti metal, and a nanoscale organic layer having unique burning profiles that lend energy to the explosive process including increased shockwave propagation through a chemical explosive and increased temperatures and gaseous pressure build up and release in and about the same. Our nano-enhanced explosive can be integrated at various points across an explosive train, e.g. use within a detonation cord (fuse), or as a detonation charge (initiator), or as the main charge, where the use of the nano-enhanced explosive can be characterized by the energy lent to projectiles from munitions, bubbles formed by underwater explosive trains, or blast profiles.

  本发明一般涉及一种纳米增强型炸药，这种炸药在炸药组的许多点上都有集成。nMx 由 Li3AlH6 纳米颗粒、元素 Al 纳米颗粒、一定量的金属 Ti 和纳米级有机层组成，具有独特的燃烧特性，可为爆炸过程提供能量，包括增加冲击波在化学炸药中的传播，以及增加温度和气压在化学炸药中的积聚和释放。我们的纳米增强型炸药可以集成在炸药组的各个点上，例如在起爆索（引信）内使用，或作为起爆药（起爆剂），或作为主装药，纳米增强型炸药的使用可以通过向弹药射出的弹丸、水下炸药组形成的气泡或爆炸剖面提供能量来表征。
• Hydrogen peroxide solvates of energetic materials
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US11040922B2

  公开（公告）日：2021-06-22

  A crystalline composition including an energetic material and hydrogen peroxide, both having observable electron density in a crystal structure of the composition, is provided. Methods of making the crystalline composition are also provided.

  提供了一种晶体组合物，其中包括一种高能材料和过氧化氢，两者在组合物的晶体结构中都具有可观察到的电子密度。此外，还提供了制造这种晶体组合物的方法。