2,5-二氯-4-(2,4,5-三氯苯基)苯酚 | 59512-50-4

• 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: 2,5-二氯-4-(2,4,5-三氯苯基)苯酚
• 英文名称: 4'-hydroxy-2,2',4,5,5'-pentachlorobiphenyl
• 英文别名: 4-Hydroxy-2,5,2',4',5'-pentachlorobiphenyl；4-hydroxy-2,2',4',5,5'-pentachlorobiphenyl；2,2',4',5,5'-pentachloro-4-biphenylol；2,2',4',5,5'-Pentachlorobiphenyl-4-ol；2,5-dichloro-4-(2,4,5-trichlorophenyl)phenol
• CAS: 59512-50-4
• 化学式: C₁₂H₅Cl₅O
• 分子量: 342.436
• InChiKey: AVHHNFHLLZCWFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• 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

ADMET

代谢

2,2',4',5,5'-五氯-[1,1'-联苯]-4-醇是2,2',4,5,5'-五氯联苯的人类已知代谢物。

2,2',4',5,5'-pentachloro-[1,1'-biphenyl]-4-ol is a known human metabolite of 2,2',4,5,5'-pentachlorobiphenyl.

来源:NORMAN Suspect List Exchange

安全信息

• 海关编码：
  2907199090

反应信息

• 作为反应物：
  描述：

  2,5-二氯-4-(2,4,5-三氯苯基)苯酚 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1,2,4-三氯-5-(2,5-二氯-4-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
• 作为产物：
  描述：

  2,5-二氯苯甲醚 、 2,4,5-三氯苯胺 生成 2,5-二氯-4-(2,4,5-三氯苯基)苯酚
  参考文献：
  名称：

  Mannila Erkki, Kolehmainen Erkki, Rissanen Kari, Acta chem. scand, 48 (1994) N 8, S 684-688

  摘要：

  DOI：

文献信息

• Reagents and method for detecting polychlorinated biphenyls
  申请人：ABBOTT LABORATORIES

  公开号：EP0455058A2

  公开（公告）日：1991-11-06

  Reagents and an immunoassay for detecting the presence or amount of polychlorinated biphenyls in a test sample. The assay is performed by adding a known concentration of a tracer labeled with a detectable moiety and a known concentration of an analyte-specific antibody to a test sample to form a mixture, incubating the mixture to form labeled tracer-antibody and analyte-antibody complexes, and determining the presence or amount of tracer-antibody complexes formed as a measure of the presence or amount of analyte in the test sample. Reagents provided include tracers, immunogens and an additive compound useful in preventing non-specific binding of the polychlorinated biphenyls to proteins which may be present

  用于检测测试样品中是否存在多氯联苯或其含量的试剂和免疫测定法。检测方法是将已知浓度的标记有可检测分子的示踪剂和已知浓度的分析物特异性抗体添加到测试样品中形成混合物，孵育混合物以形成标记的示踪剂-抗体和分析物-抗体复合物，并确定所形成的示踪剂-抗体复合物的存在或数量，以此来衡量测试样品中分析物的存在或数量。所提供的试剂包括示踪剂、免疫原和一种添加剂化合物，可防止多氯联苯与可能存在的蛋白质发生非特异性结合。
• 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：——
• Metabolism of 2,4,5,2′,4′,5′-hexachlorobiphenyl (PCB153) in guinea pig
  作者：N. ARIYOSHI、N. KOGA、H. YOSHIMURA、K. OGURI*

  DOI：10.1080/004982597240136

  日期：1997.1

  1. The in vitro and in vivo metabolism of 2,4,5,2',4',5'-hexachlorobiphenyl (PCB153) in guinea pig has been studied.2. Seven metabolites were detected in the faeces of PCB153-treated animals and three were identical to those produced by dog liver microsomes. The detection of a metabolite where a chlorine atom was shifted from the 2- to 3-position strongly suggested the involvement of 2,3-arene oxide intermediate, and evidence for the concomitant formation of a 3,4-arene oxide intermediate was provided by identifying other two minor metabolites which were dechlorinated al the 4-position.3. In vito studies using liver microsomes from guinea pigs revealed that the 2,3-arene oxide and 3-hydroxylation pathways are the predominant metabolic routes compared with the 3,4-arene oxide pathway. Although the guinea pig is an another species that can metabolize PCB153 mainly to the 2,3-arene oxide intermediate, the rate of formation was only about one-tenth of the dog.4. These results indicate that the ability to form this unusual 2,3-arene oxide intermediate may not be responsible for high excretion rate of this congener. Our data also suggest that the cytochrome P450-catalysed metabolism of PCB153 in the guinea pig and dog are similar, whereas for post-cytochrome P450 metabolism, the guinea pig resembles the rabbit.
• PROCESS FOR OXIDISING AROMATIC COMPOUNDS
  申请人：ISIS INNOVATION LIMITED

  公开号：EP1190067A1

  公开（公告）日：2002-03-27
• US5145790A
  申请人：——

  公开号：US5145790A

  公开（公告）日：1992-09-08