1,3,5-三硝基苯-萘-1-醇 | 6622-34-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1,3,5-三硝基苯-萘-1-醇
• 英文名称: [1]naphthol; compound with 1,3,5-trinitro-benzene
• 英文别名: [1]Naphthol; Verbindung mit 1,3,5-Trinitro-benzol；Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)；naphthalen-1-ol;1,3,5-trinitrobenzene
• CAS: 6622-34-0
• 化学式: C₆H₃N₃O₆*C₁₀H₈O
• 分子量: 357.279
• InChiKey: WOAKNCDKKLAFFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  158
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,3,5-三硝基苯 、 萘酚 以 氯仿 为溶剂， 生成 1,3,5-三硝基苯-萘-1-醇
  参考文献：
  名称：

  Molecular complexes of 1,3,5-trinitrobenzene with naphthalene and its derivatives

  摘要：

  The relation between spectral parameters of molecular complexes formed by 1,3,5-trinitrobenzene with naphthalene derivatives and ionization potentials of the donor molecule is discussed. The molecular complexes were divided into three groups: naphthalene, naphthalene-1-amine, and naphthalene-2-amine derivatives. This division was substantiated in terms of the existence of several intermolecular interactions between the components and steric structure of the complexes. Problems related to classification of molecular complexes are discussed.

  DOI：

  10.1134/s1070363209110139

文献信息

• Molecular complexes of 1,3,5-trinitrobenzene with naphthalene and its derivatives
  作者：B. S. Pryalkin

  DOI：10.1134/s1070363209110139

  日期：2009.11

  The relation between spectral parameters of molecular complexes formed by 1,3,5-trinitrobenzene with naphthalene derivatives and ionization potentials of the donor molecule is discussed. The molecular complexes were divided into three groups: naphthalene, naphthalene-1-amine, and naphthalene-2-amine derivatives. This division was substantiated in terms of the existence of several intermolecular interactions between the components and steric structure of the complexes. Problems related to classification of molecular complexes are discussed.