2,4,4',6-tetrachlorodiphenylsulfide | 230308-89-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,4,4',6-tetrachlorodiphenylsulfide
• 英文别名: 1,3,5-Trichloro-2-(4-chlorophenyl)sulfanylbenzene；1,3,5-trichloro-2-(4-chlorophenyl)sulfanylbenzene
• CAS: 230308-89-1
• 化学式: C₁₂H₆Cl₄S
• 分子量: 324.058
• InChiKey: RBDAFEXXAKWMPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4,4',6-tetrachlorodiphenylsulfide 以 环己烷 为溶剂， 反应 5.0h， 生成 2,4,8-trichlorodibenzothiophene
  参考文献：
  名称：

  Synthesis of Cl2- to Cl4-diphenylsulfides and Cl1- to Cl3-dibenzothiophenes

  摘要：

  The synthesis of eleven environmentally relevant mono-, di- and trichlorodibenzothiophenes (2) by photochemical ring-closure of polychlorodiphenylsulfides (1) is described. Ail monochlorodibenzothiophenes were additionally synthesized starting with a chlorothiophenol in a three-step reaction adapted from the synthesis of methyldibenzothiophenes. (C) 1999 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0045-6535(98)00582-7
• 作为产物：
  描述：

  2,4,6-三氯苯胺 在 亚硝酸异丁酯 作用下， 以 乙酸乙酯 为溶剂， 反应 2.17h， 生成 2,4,4',6-tetrachlorodiphenylsulfide
  参考文献：
  名称：

  Synthesis of Cl2- to Cl4-diphenylsulfides and Cl1- to Cl3-dibenzothiophenes

  摘要：

  The synthesis of eleven environmentally relevant mono-, di- and trichlorodibenzothiophenes (2) by photochemical ring-closure of polychlorodiphenylsulfides (1) is described. Ail monochlorodibenzothiophenes were additionally synthesized starting with a chlorothiophenol in a three-step reaction adapted from the synthesis of methyldibenzothiophenes. (C) 1999 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0045-6535(98)00582-7

文献信息

• Synthesis of Cl2- to Cl4-diphenylsulfides and Cl1- to Cl3-dibenzothiophenes
  作者：Klaus Sielex、Jan T. Andersson

  DOI：10.1016/s0045-6535(98)00582-7

  日期：1999.6

  The synthesis of eleven environmentally relevant mono-, di- and trichlorodibenzothiophenes (2) by photochemical ring-closure of polychlorodiphenylsulfides (1) is described. Ail monochlorodibenzothiophenes were additionally synthesized starting with a chlorothiophenol in a three-step reaction adapted from the synthesis of methyldibenzothiophenes. (C) 1999 Elsevier Science Ltd All rights reserved.