3-Nitro-5-trifluoromethylthioaniline | 220826-28-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Nitro-5-trifluoromethylthioaniline
• 英文别名: 3-Nitro-5-(trifluoromethylthio)aniline；3-nitro-5-(trifluoromethylsulfanyl)aniline
• CAS: 220826-28-8
• 化学式: C₇H₅F₃N₂O₂S
• 分子量: 238.19
• InChiKey: FQNNGMQWSMCTNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  97.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-Nitro-5-trifluoromethylthioaniline 在 盐酸 、 水 、 双氧水 作用下， 以 溶剂黄146 为溶剂， 生成 2,4,6-Trichloro-3-nitro-5-trifluoromethylthioaniline
  参考文献：
  名称：

  Crystal Engineering with Symmetrical Threefold Acceptor-Substituted Triaminobenzenes

  摘要：

  The syntheses of threefold acceptor-substituted 1,3.5-triaminobenzene derivatives 2 - 6 and their crystal structure analyses are described. As accepters, nitro, trifluoromethylsulfone, and alkylsulfone groups are employed. The combination of hydrogen bonding, arene...arene and F ... F contacts leads to remarkably similar solid-state layer structures for sterically quite dissimilar molecules.

  DOI：

  10.1002/(sici)1521-3765(19990104)5:1<29::aid-chem29>3.0.co;2-5
• 作为产物：
  描述：

  1-碘基-3,5-二硝基苯 在 sodium hydrogensulfide 、 水 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 3-Nitro-5-trifluoromethylthioaniline
  参考文献：
  名称：

  Crystal Engineering with Symmetrical Threefold Acceptor-Substituted Triaminobenzenes

  摘要：

  The syntheses of threefold acceptor-substituted 1,3.5-triaminobenzene derivatives 2 - 6 and their crystal structure analyses are described. As accepters, nitro, trifluoromethylsulfone, and alkylsulfone groups are employed. The combination of hydrogen bonding, arene...arene and F ... F contacts leads to remarkably similar solid-state layer structures for sterically quite dissimilar molecules.

  DOI：

  10.1002/(sici)1521-3765(19990104)5:1<29::aid-chem29>3.0.co;2-5

文献信息

• Synthesis of aryl perfluoroalkyl sulfides from aromatic disulfides
  作者：A. M. Sipyagin、V. S. Enshov、S. A. Kashtanov、V. A. Potemkin、J. S. Thrasher、A. Waterfeld

  DOI：10.1023/b:rucb.0000030820.47938.ab

  日期：2004.2

  diaryl disulfides occurs through the S—S bond cleavage to form dihalo-, halonitro-, and halodinitrophenyl perfluoroalkyl sulfides. The latter type of compounds was obtained for the first time. The main side process is the perfluoroalkylation of the aromatic ring.

  在二芳基二硫化物存在下，氙 (ii) 双（全氟烷烃羧酸盐）的热解通过 SS 键断裂发生，形成二卤代-、卤代硝基-和卤代二硝基苯基全氟烷基硫化物。后一类化合物是首次获得。主要的副过程是芳环的全氟烷基化。
• Crystal Engineering with Symmetrical Threefold Acceptor-Substituted Triaminobenzenes
  作者：J. Jens Wolff、Frank Gredel、Thomas Oeser、Hermann Irngartinger、Hans Pritzkow

  DOI：10.1002/(sici)1521-3765(19990104)5:1<29::aid-chem29>3.0.co;2-5

  日期：1999.1.4

  The syntheses of threefold acceptor-substituted 1,3.5-triaminobenzene derivatives 2 - 6 and their crystal structure analyses are described. As accepters, nitro, trifluoromethylsulfone, and alkylsulfone groups are employed. The combination of hydrogen bonding, arene...arene and F ... F contacts leads to remarkably similar solid-state layer structures for sterically quite dissimilar molecules.