1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-十六氯-1,4,4a,4b,5,8,8a,12b-八氢-1,4:5,8-二甲桥三亚苯基 | 80789-64-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 中文名称: 1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-十六氯-1,4,4a,4b,5,8,8a,12b-八氢-1,4:5,8-二甲桥三亚苯基
• 中文别名: 1,2,3,4-四氯萘-双(六氯环戊二烯)加合物
• 英文名称: 1,2,3,4-Tetrachloronaphthalene-Bis(hexachlorocyclopentadiene) Adduct
• 英文别名: 1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-Hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene；1,4,5,6,7,10,11,12,13,16,17,18,19,19,20,20-hexadecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene
• CAS: 80789-64-6
• 化学式: C₂₀H₄Cl₁₆
• 分子量: 811.5
• InChiKey: TYLICGTWUJQTQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-十六氯-1,4,4a,4b,5,8,8a,12b-八氢-1,4:5,8-二甲桥三亚苯基 在 air 作用下， 以 solid 为溶剂， 生成 四氯化萘 、 六氯环戊二烯
  参考文献：
  名称：

  Perchlorotriphenylene: a compound with severe molecular twisting?

  摘要：

  Perchlorotriphenylene has been reported several times in the literature. However, there is inconclusive evidence that this compound has actually been prepared. Severe molecular twisting to relieve steric interactions of ''ortho'' chlorines may preclude any stable existence. The compound is discussed in context with other severely twisted molecules, and methods are proposed for its synthesis.

  DOI：

  10.1021/jo00028a044

文献信息

• Perchlorotriphenylene: a compound with severe molecular twisting?
  作者：M. C. Campbell、R. E. Humphries、N. M. Munn

  DOI：10.1021/jo00028a044

  日期：1992.1

  Perchlorotriphenylene has been reported several times in the literature. However, there is inconclusive evidence that this compound has actually been prepared. Severe molecular twisting to relieve steric interactions of ''ortho'' chlorines may preclude any stable existence. The compound is discussed in context with other severely twisted molecules, and methods are proposed for its synthesis.

表征谱图