4-heptyl-1,2,4-triazole hydrobromide | 1374115-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-heptyl-1,2,4-triazole hydrobromide
• CAS: 1374115-04-4
• 化学式: BrH*C₉H₁₇N₃
• 分子量: 248.166
• InChiKey: GZPJRYMQMXIXLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  13.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  30.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-heptyl-1,2,4-triazole hydrobromide 在 potassium hydroxide 作用下， 以 水 为溶剂， 以85%的产率得到4-heptyl-1,2,4-triazole
  参考文献：
  名称：

  Synthesis of [Fe(hptrz)3](OTs)2 spin crossover nanoparticles in microemulsion

  摘要：

  Synthesis of the [Fe(hptrz)(3)](OTs)(2) spin crossover nanoparticle samples was performed. Transmission electronic microscopy was used to determine the size and size distribution of the nanoparticle samples for which a size range of 35-70 nm was found - depending on the composition and the stoichiometry of the reverse micelle hexane-tergitol-water system. The factors susceptible to influence the aggregation degree of the nanoparticles, i.e., the starting experimental conditions, the experiment time and the effect of sonication were also studied. In comparison with the bulk powder sample, these nano-materials still exhibit spin crossover near room temperature with a hysteresis loop. The size-properties relationship concerning the present compound and analogue complexes within this family is also discussed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.03.012
• 作为产物：
  描述：

  4,4'-diheptyl-1,1'-methylenbis(1,2,4-triazolium)bromide 以 乙醇 为溶剂， 反应 120.0h， 以95%的产率得到4-heptyl-1,2,4-triazole hydrobromide
  参考文献：
  名称：

  Synthesis of [Fe(hptrz)3](OTs)2 spin crossover nanoparticles in microemulsion

  摘要：

  Synthesis of the [Fe(hptrz)(3)](OTs)(2) spin crossover nanoparticle samples was performed. Transmission electronic microscopy was used to determine the size and size distribution of the nanoparticle samples for which a size range of 35-70 nm was found - depending on the composition and the stoichiometry of the reverse micelle hexane-tergitol-water system. The factors susceptible to influence the aggregation degree of the nanoparticles, i.e., the starting experimental conditions, the experiment time and the effect of sonication were also studied. In comparison with the bulk powder sample, these nano-materials still exhibit spin crossover near room temperature with a hysteresis loop. The size-properties relationship concerning the present compound and analogue complexes within this family is also discussed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.03.012