5-aminotetrazole sodium salt

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-aminotetrazole sodium salt
• 英文别名: sodium;2H-tetrazol-5-ylazanide
• 化学式: CH₂N₅*Na
• 分子量: 107.05
• InChiKey: ZXCCGHKMAIRZOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.58
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-aminotetrazole sodium salt 在 silver nitrate 作用下， 生成 silver 5-amino-1H-tetrazolate
  参考文献：
  名称：

  Synthesis, Structure and Property of 5‐Aminotetrazolate Room‐Temperature Ionic Liquids

  摘要：

  AbstractEight 5‐aminotetrazolate (AT) salts based on the 1,2,3‐trimethylimidazolium (1), 1,3‐dimethylimidazolium (2), 1‐ethyl‐3‐methylimidazolium (3), 1‐butyl‐3‐methylimidazolium (4), 1‐isobutyl‐3‐methylimidazolium (5), 1‐(3′‐methylbutyl)‐3‐methylimidazolium (6), 1‐hexyl‐3‐methylimidazolium (7) and 1‐methyl‐3‐octylimidazolium (8) cations have been synthesized in high yields and fully characterized by IR and NMR spectroscopy and elemental analysis. White plate crystals of 1 were isolated in methanol/diethyl ether and crystallized. Both the AT anion and the 1,2,3‐trimethylimidazolium cation in 1 were delocalized. Differential scanning calorimetry (DSC) combined with thermogravimetric analysis (TGA) tests were used to assess the thermal stabilities of the AT salts. These salts decomposed within the temperature range 230 °C–262 °C. Salts 3–8 are very fluent room‐temperature ionic liquids, whose glass transition temperatures are low. Their viscosities at 30 °C are in the range from 92 cP to 208 cP. A correlation between the viscosity and temperature was found, and the ionic liquids to do not display an Arrhenius temperature behaviour. In addition, the standard enthalpies of formation of salts 1–8 were investigated and analyzed by the theoretical methods. Salt 2 with the 1,3‐dimethylimidazolium cation gave the highest positive enthalpy of formation. For the assessment of the energetic character of the AT salts, impact sensitivities and friction sensitivities were recorded. These AT salts are insensitive to impact (>40 J) and friction (>360 N) confirmed by UN standards. The reactions of these AT salts with 100 % HNO3 were also determined.

  DOI：

  10.1002/ejic.201200065
• 作为产物：
  描述：

  5-氨基四氮唑 在 sodium hydroxide 作用下， 生成 5-aminotetrazole sodium salt
  参考文献：
  名称：

  Synthesis, Structure and Property of 5‐Aminotetrazolate Room‐Temperature Ionic Liquids

  摘要：

  AbstractEight 5‐aminotetrazolate (AT) salts based on the 1,2,3‐trimethylimidazolium (1), 1,3‐dimethylimidazolium (2), 1‐ethyl‐3‐methylimidazolium (3), 1‐butyl‐3‐methylimidazolium (4), 1‐isobutyl‐3‐methylimidazolium (5), 1‐(3′‐methylbutyl)‐3‐methylimidazolium (6), 1‐hexyl‐3‐methylimidazolium (7) and 1‐methyl‐3‐octylimidazolium (8) cations have been synthesized in high yields and fully characterized by IR and NMR spectroscopy and elemental analysis. White plate crystals of 1 were isolated in methanol/diethyl ether and crystallized. Both the AT anion and the 1,2,3‐trimethylimidazolium cation in 1 were delocalized. Differential scanning calorimetry (DSC) combined with thermogravimetric analysis (TGA) tests were used to assess the thermal stabilities of the AT salts. These salts decomposed within the temperature range 230 °C–262 °C. Salts 3–8 are very fluent room‐temperature ionic liquids, whose glass transition temperatures are low. Their viscosities at 30 °C are in the range from 92 cP to 208 cP. A correlation between the viscosity and temperature was found, and the ionic liquids to do not display an Arrhenius temperature behaviour. In addition, the standard enthalpies of formation of salts 1–8 were investigated and analyzed by the theoretical methods. Salt 2 with the 1,3‐dimethylimidazolium cation gave the highest positive enthalpy of formation. For the assessment of the energetic character of the AT salts, impact sensitivities and friction sensitivities were recorded. These AT salts are insensitive to impact (>40 J) and friction (>360 N) confirmed by UN standards. The reactions of these AT salts with 100 % HNO3 were also determined.

  DOI：

  10.1002/ejic.201200065

文献信息

• Metal Tetrazole Complexes: Bis-(5-aminotetrazolato)-copper(II)
  作者：Carl H. Brubaker

  DOI：10.1021/ja01486a017

  日期：1960.1

  BS>Two crystalline forms of bis-(5-aminotetrazolato) copper(II) were prepared and characterized. Visible and ultraviolet spectra of aqueous copper(II)-5-aminotetrazole solution were examined. Continuous variation experiments reveal 1: 2 interactions and a formation constant for the complex in solution was determined to be about 10/sup 12/. Infrared studies suggest coordtnation involves the ring and

  BS>制备并表征了双-(5-氨基四唑根)铜(II)的两种结晶形式。研究了铜 (II)-5-氨基四唑水溶液的可见光和紫外光谱。连续变化实验揭示了 1:2 的相互作用，溶液中复合物的形成常数被确定为大约 10/sup 12/。红外研究表明配位涉及环而不是 5-氨基。酸分解络合物并导致四唑环破裂，而氨分解不影响环。（授权）
• Energetic salts based on nitroiminotetrazole-containing acetic acid
  作者：Young-Hyuk Joo、Haixiang Gao、Damon A. Parrish、Soo Gyeong Cho、Eun Mee Goh、Jean'ne M. Shreeve

  DOI：10.1039/c2jm30322a

  日期：——

  2-(5-Nitroiminotetrazol-1-yl)acetic acid (4) was synthesized from 100% nitric acid and ethyl 2-(5-aminotetrazol-1-yl)acetate (2), which was easily obtained by reaction of ethyl aminoacetate hydrochloride, sodium hydroxide, and cyanogen azide. Compound 4 was also formed with 100% nitric acid and 2-(5-aminotetrazol-1-yl)acetic acid which was prepared from sodium 5-aminotetrazolate and 2-chloroacetic acid. New energetic materials comprised of nitroiminotetrazolate salts with nitroiminotetrazolate and carboxylate anions have been characterized spectroscopically as well as with single crystal X-ray diffraction and elemental analyses. In addition, the heats of formation (ΔHf), and detonation pressures (P) and velocities (D) were calculated. All compounds were insensitive (>40 J) for impact with BAM Fallhammer.

  2-(5-亚硝胺基四唑-1-基)乙酸（4）由100%硝酸和乙基2-(5-氨基四唑-1-基)乙酸酯（2）合成，后者可通过氨基乙酸乙酯盐酸盐、氢氧化钠和氰基叠氮化物的反应轻松制得。化合物4也可由100%硝酸和2-(5-氨基四唑-1-基)乙酸形成，后者由5-氨基四唑酸钠和2-氯乙酸制备。新型高能材料由亚硝胺基四唑盐组成，这些盐具有亚硝胺基四唑和羧酸盐阴离子，并通过光谱学、单晶X射线衍射和元素分析进行了表征。此外，还计算了它们的热生成焓（ΔHf）、爆炸压力（P）和速度（D）。所有化合物对于BAM落锤冲击都是不敏感的（>40 J）。
• N-linked azabicyclic heterocycles useful for treating dementia
  申请人：Beecham Group p.l.c.

  公开号：US05981545A1

  公开（公告）日：1999-11-09

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: ##STR1## in which one of X and Y represents hydrogen and the other represents Z, where Z is a group ##STR2## in which Q represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises zero, one or two nitrogen atoms, Q being optionally C-substituted by a group R.sub.1 selected from halogen, CN, OR.sub.2, SR.sub.2, N(R.sub.2).sub.2, NHCOR.sub.2, NHCOOCH.sub.3, NHCOOC.sub.2 H.sub.5, NHOR.sub.2, N.sub.3, NHNH.sub.2, NO.sub.2, COR.sub.2, COR.sub.3, C.sub.2-4 alkenyl, C.sub.2-4 alkynyl, cyclopropyl or C.sub.1-2 alkyl optionally substituted with OR.sub.2, N(R.sub.2).sub.2, SR.sub.2, CO.sub.2 R.sub.2, CON(R.sub.2).sub.2 or one, two or three halogen atoms, in which each R.sub.2 is independently hydrogen or C.sub.1-2 alkyl and R.sub.3 is OR.sub.2, NH.sub.2 or NHR.sub.2 ; r represents an integer of 2 or 3, s represents an integer of 1 or 2 and t represents 0 or 1; R.sub.a and R.sub.b each represent hydrogen or, when X is hydrogen, optionally together represent a bond; with the proviso that when Y is hydrogen s is 1.

  化合物的化学式（I）或其药学上可接受的盐：其中X和Y中的一个代表氢，另一个代表Z，其中Z是一个基团，其中Q代表一个3-成员双价残基，形成一个5-成员芳香环，并包含零、一个或两个氮原子，Q可以选择性地被一个基团R.sub.1取代，所述基团R.sub.1选自卤素、CN、OR.sub.2、SR.sub.2、N（R.sub.2）.sub.2、NHCOR.sub.2、NHCOOCH.sub.3、NHCOOC.sub.2 H.sub.5、NHOR.sub.2、N.sub.3、NHNH.sub.2、NO.sub.2、COR.sub.2、COR.sub.3、C.sub.2-4 烯基、C.sub.2-4 炔基、环丙基或C.sub.1-2 烷基，可选择地被OR.sub.2、N（R.sub.2）.sub.2、SR.sub.2、CO.sub.2 R.sub.2、CON（R.sub.2）.sub.2或一个、两个或三个卤素原子取代的基团，其中每个R.sub.2独立地代表氢或C.sub.1-2 烷基，R.sub.3代表OR.sub.2、NH.sub.2或NHR.sub.2；r代表2或3的整数，s代表1或2的整数，t代表0或1；R.sub.a和R.sub.b各自代表氢或者当X为氢时，可以选择性地一起表示一个键；但当Y为氢时，s为1。
• 3,6BIS(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine or salt thereof
  申请人：The Regents of the University of California

  公开号：US06657059B2

  公开（公告）日：2003-12-02

  The compound 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine and its salts are provided together with a propellant composition including an oxidizer, a binder and 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine or its salts.

  提供了化合物3,6-双(1H-1,2,3,4-四唑-5-基氨基)-1,2,4,5-四嗪及其盐，以及包括氧化剂、粘合剂和3,6-双(1H-1,2,3,4-四唑-5-基氨基)-1,2,4,5-四嗪或其盐的推进剂组合物。
• Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance
  作者：Qi Sun、Xin Li、Qiuhan Lin、Ming Lu

  DOI：10.1039/c8ta12506f

  日期：——

  The first two examples of ECP-based primary explosives exhibiting a positive oxygen balance (based on CO₂), [Ag₅NT₄NO₃]_n and [Ag₅NT₄ClO₄]_n, are presented.

  展示了基于ECP的两种具有正氧平衡（基于CO2）的初级炸药的例子，分别为[Ag5NT4NO3]n和[Ag5NT4ClO4]n。