nonafluoro-5-indanethiol | 52267-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: nonafluoro-5-indanethiol
• 英文别名: 5-nonafluoroindanethiol；nonafluoroindan-5-thiol；5-Mercapto-nonafluorindan；5-Mercaptoperfluoroindan；1,1,2,2,3,3,4,6,7-nonafluoroindene-5-thiol
• CAS: 52267-66-0
• 化学式: C₉HF₉S
• mdl: MFCD00845916
• 分子量: 312.159
• InChiKey: UTRCRAZVJFMIMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  190.5±40.0 °C(Predicted)
• 密度：
  1.73±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  nonafluoro-5-indanethiol 在 双氧水 、 氯 作用下， 生成 Nonafluor-5-chlorsulfonylindan
  参考文献：
  名称：

  Furin,G.G. et al., Journal of Organic Chemistry USSR (English Translation), 1974, vol. 10, p. 832 - 839

  摘要：

  DOI：
• 作为产物：
  描述：

  氯五氟苯 以 吡啶 、 乙二醇 为溶剂， 生成 nonafluoro-5-indanethiol
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.SVol.2, 6.2.1.6.1, page 61 - 84

  摘要：

  DOI：

文献信息

• Heat-Induced Reactions of 6-Bromo-, 6-Chloro-, and 6-(Methylsulfanyl)octafl uoroindane-5-thiols with Tetrafluoroethylene. Synthesis of Dodecafluoro-2H,3H,5H,6H,7H-indeno[5,6-b]thiophene
  作者：P. V. Nikul’shin、A. M. Maksimov、Yu. V. Gatilov、V. E. Platonov

  DOI：10.1134/s1070363219120090

  日期：2019.12

  Dodecafluoro-2H,3H,5H,6H,7H-indeno[5,6-b]thiophene has been synthesized as the major product of co-pyrolysis of 6-bromo-, 6-chlorooctafluoroindane-5-thiols, or bis(6-bromo-5-perfluoroindanyl)disulfane with tetrafluoroethylene under flow conditions at 400-625ºC, along with small amount of tetradecafluoro-1,2,3,5,6,7-hexahydro-s-indacene. Dodecafluoro-2H,3H,5H,6H,7H-indeno[5,6-b]thiophene formed in the

  十二氟-2 H，3 H，5 H，6 H，7 H-茚并[5,6- b ]噻吩已被合成为6-溴-，6-氯八氟茚满-5-硫醇共热解的主要产物或双（6-溴-5- perfluoroindanyl）二硫与400-625ºC流动条件下四氟乙烯，与tetradecafluoro-1,2,3,5,6,7-六氢的少量沿小号-indacene。十二氟-2 H，3 H，5 H，6 H，7 H-茚并[5,6- b分离出了在420℃下6-（甲基硫烷基）八氟茚满-5-硫醇与四氟乙烯反应生成的]噻吩，并通过X射线衍射分析证实了其结构。已经提出了涉及中间自由基的产物形成方案。
• Organofluorine Sulfur-containing Compounds: V. Joint Pyrolysis with Chlorine or Bromine of Polyfluoroarenethioles, Polyfluorohetarenethioles, and Their Derivatives
  作者：V. E. Platonov、A. M. Maksimov、K. V. Dvornikova、P. V. Nikul'shin

  DOI：10.1007/s11178-006-0012-1

  日期：2005.11

  Joint pyrolysis with chlorine and bromine of polyfluoroarenethiols, -hetarenethiols, and their derivatives at 300–650°C furnished polyfluorocompounds containing chlorine and bromine.

  在300-650°C下，聚氟芳硫醇、-芳硫醇及其衍生物与氯和溴发生热解反应，生成含氯和溴的聚氟化合物。
• A novel and efficient method for the synthesis of polyfluoroarenesulfonyl bromides from polyfluoroarenethiols
  作者：Vyacheslav E. Platonov、Roman A. Bredikhin、Alexander M. Maksimov、Victor V. Kireenkov

  DOI：10.1016/j.jfluchem.2009.09.011

  日期：2010.1

  The first general methodology has been developed for the synthesis of polyfluoroarenesulfonyl bromides from polyfluoroarenethiols. At heating of polyfluoroarenethiols with a mixture of Br2 and fuming HNO3 or Br2, HNO3 and H2SO4 polyfluoroarenesulfonyl bromides were obtained in good yields.

  已经开发了用于从多氟亚芳基硫醇合成多氟芳烃磺酰溴的第一种通用方法。在将多氟芳硫醇与Br 2和发烟的HNO 3或Br 2的混合物一起加热时，以良好的产率获得了HNO 3和H 2 SO 4的多氟芳烃磺酰基溴。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.SVol.2, 6.2.1.6.5, page 172 - 209
  作者：

  DOI：——

  日期：——
• Synthesis of chloropolyfluoroarenes from polyfluoroarenethiols and PCl5
  作者：P. V. Nikul’shin、А. M. Maksimov、V. Е. Platonov

  DOI：10.1134/s1070428016020068

  日期：2016.2

  Replacement of the thiol group in polyfluoroarenethiols with chlorine was performed by treating with PCl5 as chlorinating agent. By heating in ampules at 200-220A degrees C polyfluoro- and polyfluorochloroarenethiols with PCl5 mono- and dichloropolyfluoroarenes and also 1,2,4-trifluorotrichlorobenzene were synthesized. Dichloropolyfluoroarenes contain chlorine atoms in ortho- and para-positions.