azidoformamidinium chloride | 36387-81-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: azidoformamidinium chloride
• 英文别名: 1-Diazoguanidine;hydrochloride
• CAS: 36387-81-2
• 化学式: CH₃N₅*ClH
• 分子量: 121.529
• InChiKey: OOCQMFQBTYUMEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  azidoformamidinium chloride 在 ammonium hydroxide 、 甲烷 作用下， 以87.0 %的产率得到5-氨基四氮唑
  参考文献：
  名称：

  CN116425691

  摘要：

  公开号：
• 作为产物：
  描述：

  肼甲酰亚胺酰胺一氯化氢 在 盐酸 、 sodium nitrite 作用下， 生成 azidoformamidinium chloride
  参考文献：
  名称：

  N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities

  摘要：

  2-Methyl-5-nitraminotetrazole (1) was formed by nitration of 2-methyl-5-aminotetrazole. 2-Methyl-5-aminotetrazole was obtained by an improved synthesis starting from sodium 5-aminotetrazolate, which is methylated with dimethyl sulfate in dimethyl formamide giving 2-methyl-5-aminotetrazole in 29% yield. Nitrogen-rich salts such as guanidinium (2), 1-aminoguanidinium (3), 1,3-diamino-guanidinium (4), 1,3,5-triamino-guanidinium (5), azidoformamidinium (6), hydrazinium (7), diaminouronium 2-methyl-5-nitraminotetrazolate (8), as well as an urea adduct (9), were prepared by facile deprotonation or metathesis reactions. Diaminourea was synthesized by hydrazinolysis of dimethyl carbonate with hydrazine hydrate. All compounds were fully characterized by vibrational spectroscopy (IR and Raman), multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC) measurements. The crystal structures of 2-6, 8, and 9 could be determined using single crystal X-ray diffraction. The heats of formation of 2-9 were calculated using the atomization method based on CBS-4M enthalpies. With these values and the experimental (X-ray) densities several detonation parameters such as the detonation pressure, velocity, energy, and temperature were computed using the EXPLO5 code. In addition, the sensitivities toward impact, friction, and electrical discharge were tested using the BAM drop hammer, BAM friction tester, as well as a small scale electrical discharge device.

  DOI：

  10.1021/ic1019923

文献信息

• Energetic Nitrogen‐Rich Salts of 1‐(2‐Hydroxyethyl)‐5‐nitriminotetrazole
  作者：Niko Fischer、Thomas M. Klapötke、Jörg Stierstorfer

  DOI：10.1002/ejic.201100535

  日期：2011.10

  1-(2-Hydroxyethyl)-5-nitriminotetrazole (2) was formed by the reaction of 5-amino-1-(2-hydroxyethyl)tetrazole (1) and 100 % HNO3. Compound 1 was obtained by alkylation of 5-amino-1H-tetrazole with 2-chloroethanol. Nitrogen-rich salts such as the ammonium (3), hydroxylammonium (4), guanidinium (5), aminoguanidinium (6), diaminoguanidinium (7), triaminoguanidinium (8), azidoformamidinium (9), and diaminouronium

  1-(2-羟乙基)-5-硝基四唑(2)是由5-氨基-1-(2-羟乙基)四唑(1)和100％HNO3反应形成的。通过用2-氯乙醇将5-氨基-1H-四唑烷基化得到化合物1。富氮盐，例如铵 (3)、羟铵 (4)、胍 (5)、氨基胍 (6)、二氨基胍 (7)、三氨基胍 (8)、叠氮甲脒 (9) 和二氨基脲 (10) 1-( 2-羟乙基)-5-硝基四唑酸盐通过去质子化或复分解反应制备。通过单晶 X 射线衍射（9 和 10 除外）、振动光谱（IR 和拉曼）、多核 NMR 光谱、元素分析和差示扫描量热法 (DSC) 测量对化合物 3-10 进行了全面表征。4-10 的形成热是通过基于 CBS-4M 焓的雾化方法计算的。利用这些值和 X 射线密度，使用 EXPLO5 代码计算了几个爆震参数，例如爆震压力、速度、能量和温度。此外，还使用 ​​BAM 落锤、摩擦测试仪和小型放电装置测试了它们对冲击、摩擦和放电的敏感性。
• LORENZ, MANFRED
  作者：LORENZ, MANFRED

  DOI：——

  日期：——