5-(4H-1,2,4-triazol-4-yl)-2H-tetrazole | 934132-51-1

• 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-(4H-1,2,4-triazol-4-yl)-2H-tetrazole
• 英文别名: 5-(1,2,4-triazol-4-yl)-2H-tetrazole
• CAS: 934132-51-1
• 化学式: C₃H₃N₇
• 分子量: 137.104
• InChiKey: OWUACCGWFNJXQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  iron(II) tetrafluoroborate hexahydrate 、 5-(4H-1,2,4-triazol-4-yl)-2H-tetrazole 在 维生素 C 作用下， 以 水 为溶剂， 反应 0.5h， 以24%的产率得到[Fe(trz-tet)₂(H₂O)4]·2H₂O
  参考文献：
  名称：

  Selective and Reusable Iron(II)-Based Molecular Sensor for the Vapor-Phase Detection of Alcohols

  摘要：

  A mononuclear iron(II) neutral complex (1) is screened for sensing abilities for a wide spectrum of chemicals and to evaluate the response function toward physical perturbation like temperature and mechanical stress. Interestingly, 1 precisely detects methanol among an "alcohol series. The sensing process is visually detectable, fatigue-resistant, highly selective, and reusable. The sensing ability is attributed to molecular sieving and subsequent spin-state change of iron centers, after a crystal-to-crystal transformation.

  DOI：

  10.1021/ic402816a
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 为溶剂， 以79%的产率得到5-(4H-1,2,4-triazol-4-yl)-2H-tetrazole
  参考文献：
  名称：

  Selective and Reusable Iron(II)-Based Molecular Sensor for the Vapor-Phase Detection of Alcohols

  摘要：

  A mononuclear iron(II) neutral complex (1) is screened for sensing abilities for a wide spectrum of chemicals and to evaluate the response function toward physical perturbation like temperature and mechanical stress. Interestingly, 1 precisely detects methanol among an "alcohol series. The sensing process is visually detectable, fatigue-resistant, highly selective, and reusable. The sensing ability is attributed to molecular sieving and subsequent spin-state change of iron centers, after a crystal-to-crystal transformation.

  DOI：

  10.1021/ic402816a

文献信息

• Selective and Reusable Iron(II)-Based Molecular Sensor for the Vapor-Phase Detection of Alcohols
  作者：Anil D. Naik、Koen Robeyns、Christophe F. Meunier、Alexandre F. Léonard、Aurelian Rotaru、Bernard Tinant、Yaroslav Filinchuk、Bao Lian Su、Yann Garcia

  DOI：10.1021/ic402816a

  日期：2014.2.3

  A mononuclear iron(II) neutral complex (1) is screened for sensing abilities for a wide spectrum of chemicals and to evaluate the response function toward physical perturbation like temperature and mechanical stress. Interestingly, 1 precisely detects methanol among an "alcohol series. The sensing process is visually detectable, fatigue-resistant, highly selective, and reusable. The sensing ability is attributed to molecular sieving and subsequent spin-state change of iron centers, after a crystal-to-crystal transformation.