1,2,4-三氯-5-(2,5-二氯-3-甲氧基苯基)苯 | 60082-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2,4-三氯-5-(2,5-二氯-3-甲氧基苯基)苯
• 英文名称: 3'-methoxy-2,2',4,5,5'-pentachlorobiphenyl
• 英文别名: 3-Methoxy-2,5,2',4',5'-pentachlorobiphenyl；2,2',4',5,5'-Pentachloro-3-methoxy-1,1'-biphenyl；1,2,4-trichloro-5-(2,5-dichloro-3-methoxyphenyl)benzene
• CAS: 60082-97-5
• 化学式: C₁₃H₇Cl₅O
• 分子量: 356.463
• InChiKey: YEVLZBGKWIOXOL-UHFFFAOYSA-N

物化性质

• 沸点：
  397.7±37.0 °C(Predicted)
• 密度：
  1.494±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-Hydroxy-2,5,2',4',5'-pentachlorobiphenyl 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1,2,4-三氯-5-(2,5-二氯-3-甲氧基苯基)苯
  参考文献：
  名称：

  2,2‘,4,5,5‘-Pentachlorobiphenyl:  Comparative Metabolism in Mink (Mustela vison) and Mouse

  摘要：

  The metabolism of 14C-labeled 2,2',4,5,5'-pentachlorobiphenyl was studied in mink (Mustela vison) and, for comparison in the mouse (C57Bl). Both species were dosed orally and kept in metabolism cages for 5 days. Distribution in tissues and excretion rate were determined radiometrically, and metabolites were analyzed by GC/MS. Within 5 days, the mink excreted 17% of the dose, and the mouse excreted 74%, mainly via the feces. For both species, the excreted radioactivity consisted primarily of metabolites, a large proportion of which were covalently bound to macromolecules and to lipids. A smaller proportion consisted of water-soluble metabolites. Phenolic and, in trace amounts, methylsulfonyl metabolites were also excreted. In the mink, a salivary gland in the neck region demonstrated the highest concentration of radiolabeled material of all tissues examined (3 times higher than in adipose tissue and liver on a lipid weight basis). The radioactive material in the salivary gland consisted of the parent compound and phenolic and methylsulfonyl metabolites. In the mouse, the highest concentration of 14C was found in the lund and consisted of 4-methylsulfonyl-2,2',4',5,5'-pentachlorobiphenyl. Hydroxylated and methylsulfonyl metabolites were retained to various degrees in tissues of both species. The mink, but not the mouse, also formed metabolites that were hydroxylated in the trichlorinated phenyl ring.

  DOI：

  10.1021/tx960112x

文献信息

• Mannila, Erkki; Kolehmainen, Erkki; Rissanen, Kari, Acta Chemica Scandinavica, 1994, vol. 48, # 8, p. 684 - 688
  作者：Mannila, Erkki、Kolehmainen, Erkki、Rissanen, Kari

  DOI：——

  日期：——
• US5538852A
  申请人：——

  公开号：US5538852A

  公开（公告）日：1996-07-23
• US6204005B1
  申请人：——

  公开号：US6204005B1

  公开（公告）日：2001-03-20
• 2,2‘,4,5,5‘-Pentachlorobiphenyl:  Comparative Metabolism in Mink (<i>Mustela vison</i>) and Mouse
  作者：Eva Klasson Wehler、Lotta Hovander、Bert-Ove Lund

  DOI：10.1021/tx960112x

  日期：1996.1.1

  The metabolism of 14C-labeled 2,2',4,5,5'-pentachlorobiphenyl was studied in mink (Mustela vison) and, for comparison in the mouse (C57Bl). Both species were dosed orally and kept in metabolism cages for 5 days. Distribution in tissues and excretion rate were determined radiometrically, and metabolites were analyzed by GC/MS. Within 5 days, the mink excreted 17% of the dose, and the mouse excreted 74%, mainly via the feces. For both species, the excreted radioactivity consisted primarily of metabolites, a large proportion of which were covalently bound to macromolecules and to lipids. A smaller proportion consisted of water-soluble metabolites. Phenolic and, in trace amounts, methylsulfonyl metabolites were also excreted. In the mink, a salivary gland in the neck region demonstrated the highest concentration of radiolabeled material of all tissues examined (3 times higher than in adipose tissue and liver on a lipid weight basis). The radioactive material in the salivary gland consisted of the parent compound and phenolic and methylsulfonyl metabolites. In the mouse, the highest concentration of 14C was found in the lund and consisted of 4-methylsulfonyl-2,2',4',5,5'-pentachlorobiphenyl. Hydroxylated and methylsulfonyl metabolites were retained to various degrees in tissues of both species. The mink, but not the mouse, also formed metabolites that were hydroxylated in the trichlorinated phenyl ring.