4-溴-2,3,6-三氯苯酚 | 13311-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-溴-2,3,6-三氯苯酚
• 英文名称: 2,3,6-trichloro-4-bromophenol
• 英文别名: 2,3,6-Trichlor-4-brom-phenol；4-bromo-2,3,6-trichloro-phenol；4-Brom-2,3,6-trichlor-phenol；2.3.6-Trichlor-4-brom-1-hydroxy-benzol；4-Bromo-2,3,6-trichlorophenol
• CAS: 13311-72-3
• 化学式: C₆H₂BrCl₃O
• 分子量: 276.344
• InChiKey: QXTYKQOYAPZQOA-UHFFFAOYSA-N

物化性质

• 熔点：
  73-75 °C
• 沸点：
  281.9±35.0 °C(Predicted)
• 密度：
  1.975±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2908199090

反应信息

• 作为反应物：
  描述：

  4-溴-2,3,6-三氯苯酚 在 四(三苯基膦)钯 sodium hydroxide 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 20.5h， 生成 1,2-二氯-4-(3-氯-4-甲氧基苯基)苯
  参考文献：
  名称：

  Synthesis of hydroxylated PCB metabolites with the Suzuki-coupling

  摘要：

  An improved synthesis of hydroxylated polychlorinated biphenyls (PCBs) which are structurally related to the major hydroxy PCB, congeners identified in human plasma is described. The coupling of (chlorinated) aryl boronic acids with bromochloro anisoles using the standard conditions of the Suzuki coupling gave the desired hydroxylated PCB metabolites in good to excellent yields. The approach offers the advantage of high selectivity and good yields compared to conventional methods such as the Cadogan reaction and allows the use of less toxic starting materials. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(01)00052-2
• 作为产物：
  描述：

  2,3,6-三氯苯酚 在 溴 、 溶剂黄146 作用下， 生成 4-溴-2,3,6-三氯苯酚
  参考文献：
  名称：

  Kohn; Fink, Monatshefte fur Chemie, 1930, vol. 56, p. 137,140

  摘要：

  DOI：

文献信息

• Kohn; Fink, Monatshefte fur Chemie, 1930, vol. 56, p. 137,140
  作者：Kohn、Fink

  DOI：——

  日期：——
• Synthesis of hydroxylated PCB metabolites with the Suzuki-coupling
  作者：Hans-Joachim Lehmler、Larry W. Robertson

  DOI：10.1016/s0045-6535(01)00052-2

  日期：2001.12

  An improved synthesis of hydroxylated polychlorinated biphenyls (PCBs) which are structurally related to the major hydroxy PCB, congeners identified in human plasma is described. The coupling of (chlorinated) aryl boronic acids with bromochloro anisoles using the standard conditions of the Suzuki coupling gave the desired hydroxylated PCB metabolites in good to excellent yields. The approach offers the advantage of high selectivity and good yields compared to conventional methods such as the Cadogan reaction and allows the use of less toxic starting materials. (C) 2001 Elsevier Science Ltd. All rights reserved.