4-氨基-2,3,5-三氯-苯酚 | 100606-60-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-氨基-2,3,5-三氯-苯酚
• 英文名称: 4-amino-2,3,5-trichloro-phenol
• 英文别名: 4-Amino-2,3,5-trichlor-phenol；4-Amino-2,3,5-trichlorophenol；4-amino-2,3,5-trichlorophenol
• CAS: 100606-60-8
• 化学式: C₆H₄Cl₃NO
• 分子量: 212.463
• InChiKey: YGRJIROAZIHLIG-UHFFFAOYSA-N

物化性质

• 沸点：
  306.7±42.0 °C(Predicted)
• 密度：
  1.686±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-硝基苯亚磺酰氯 、 4-氨基-2,3,5-三氯-苯酚 在 三乙胺 作用下， 以 乙醚 为溶剂， 以26%的产率得到
  参考文献：
  名称：

  摘要：

  Introduction of chlorine substituents into quinone imine fragment results in virtually the same variations in the chemical shifts of the quinoid ring carbons both in N-arylthio and N-arylsulfonyl-1,4-benzoquinone imines as compared to the unsubstituted analogs. In both classes of chloro-substituted compounds the effect of substituents in the benzene ring on the character and the range of chemical shifts variations for the carbon signals from the quinoid ring also turned out to be identical. Any differences observed may be due to the change in the geometry of the molecules, in particular, to the increase in the bond angle C=N-S.

  DOI：

  10.1023/a:1020945308712
• 作为产物：
  描述：

  1,2,4-三氯-3-硝基苯 生成 4-氨基-2,3,5-三氯-苯酚
  参考文献：
  名称：

  The metabolism of the trichloronitrobenzenes in the rabbit

  摘要：

  DOI：

  10.1042/bj0660610

文献信息

• Hirsch, Chemische Berichte, 1880, vol. 13, p. 1909
  作者：Hirsch

  DOI：——

  日期：——
• ——
  作者：V. V. Pirozhenko、A. P. Avdeenko、A. L. Yusina、S. A. Konovalova

  DOI：10.1023/a:1020945308712

  日期：——

  Introduction of chlorine substituents into quinone imine fragment results in virtually the same variations in the chemical shifts of the quinoid ring carbons both in N-arylthio and N-arylsulfonyl-1,4-benzoquinone imines as compared to the unsubstituted analogs. In both classes of chloro-substituted compounds the effect of substituents in the benzene ring on the character and the range of chemical shifts variations for the carbon signals from the quinoid ring also turned out to be identical. Any differences observed may be due to the change in the geometry of the molecules, in particular, to the increase in the bond angle C=N-S.
• The metabolism of the trichloronitrobenzenes in the rabbit
  作者：J. J. Betts、H. G. Bray、Sybil P. James、W. V. Thorpe

  DOI：10.1042/bj0660610

  日期：1957.8.1