2,4-Dichlorophenol
SmallMolecule
T3DB_ID
T3D0209
描述
2,4-Dichlorophenol is a chlorinated organic chemical due to environmental exposure, that can be detected in breast milk. The free species of phenols and chlorinated organic appear to be most prevalent in milk (A11269).
类别
"Pesticide", "Industrial/Workplace Toxin", "Pollutant", "Food Toxin", "Synthetic Toxin"
同义词
"1,3-Dichloro-4-hydroxybenzene", "2,4-Dichloro-Phenol", "2,4-Dichlorophenate", "2,4-Dichlorophenic acid", "4,6-Dichlorophenol"
CAS登记号
120-83-2
化学式
C6H4Cl2O
平均分子量
163.001
单同位素质量
161.963920164
IUPAC 名称
2,4-dichlorophenol
传统名称
2,4-dichlorophenol
简化分子线性输入规范
OC1=C(Cl)C=C(Cl)C=C1
InChI 标识符
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey=HFZWRUODUSTPEG-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Benzenoids
类型
Benzene and substituted derivatives
子类
Halobenzenes
直接大类
Dichlorobenzenes
另外分类
"1-hydroxy-2-unsubstituted benzenoids", "Aryl chlorides", "Hydrocarbon derivatives", "O-chlorophenols", "Organochlorides", "Organooxygen compounds", "P-chlorophenols"
取代基
"1,3-dichlorobenzene", "1-hydroxy-2-unsubstituted benzenoid", "2-chlorophenol", "2-halophenol", "4-chlorophenol", "4-halophenol", "Aromatic homomonocyclic compound", "Aryl chloride", "Aryl halide", "Hydrocarbon derivative", "Organic oxygen compound", "Organochloride", "Organohalogen compound", "Organooxygen compound", "Phenol"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"a chloroaromatic compound", "dichlorophenol"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Membrane"
生物流体位置
组织位置
途径
状态
Solid
外貌
White powder. (L159)
熔点/沸点/溶解度
45°C/210 °C/4.5 mg/mL at 20°C
日志P
3.06
暴露途径
Oral (L159) ; dermal (L159)
毒性机制
Chlorophenols have moderately high lipophilicity. Absorption through the gastrointestinal tract is by simple diffusion and is expected to be both rapid and virtually complete. The chlorophenols are also readily absorbed after dermal exposure. Chlorophenols uncouple mitochondrial oxidative phosphorylation and produce convulsions. At low concentrations, uncoupling produces stimulation of state 4 (resting state) respiration as a result of increased adenosine triphosphatase (ATPase) activity in the absence of a phosphate acceptor. Inhibition of state 3 (active) respiration is also observed. At moderate concentrations, resting respiration is neither stimulated nor inhibited. Significant inhibition of respiration, associated with a breakdown of the electron transport process and decreased ATPase activity, occurs at very high concentrations. (L159)
代谢
After inhalation and dermal routes, 2,4-DCP is rapidly absorbed and excreted. Data on absorption following oral route are limited to animal studies. When administered intravenously to rats, 2,4-DCP rapidly distributes to the kidney, liver, fat, and brain, with the highest concentrations in the kidney and liver. 2,4-DCP strongly bind to serum proteins, including albumin and globulin. Both human and animal studies indicate that sulfation and glucuronidation are the main metabolic pathways of chlorophenols. 2,4-DCP has been shown to be metabolized into two major metabolites identified as 2-chloro-1,4-hydroxyquinone and 2-chloro-1,4-benzoquinone by microsomal fractions and whole cells of yeast Saccharomyces cerevisiae expressing human cytochrome P-450 3A4. Another metabolite, 1,2,4-hydroxybenzene, was also detected during biotransformation by whole cells but was not observed in microsomal fractions. (L159)
毒性值
致死剂量
致癌性
2B, possibly carcinogenic to humans. (L135)
用途/来源
Chlorophenols are used as intermediates in the production of dyes and chlorinated pesticides. Exposed pesticide production workers may be at increased risk for soft tissue sarcoma, Hodgkin’s disease, and non-Hodgkin’s lymphoma. Most people are exposed to very low levels of chlorophenols from chlorinated drinking water. (L159)
最低风险等级
健康影响
Dermally absorbed doses of chlorophenols are potentially more toxic than orally absorbed doses. Within 20 minutes of being accidentally splashed with 2,4-DCP on his right arm and leg, a worker experienced seizures, collapsed, and died shortly thereafter. Lethargy, tremors, convulsions, and/or central nervous system depression have been reported in chlorophenol-exposed animals. (L159)
症状
治疗
药库 ID
HMDB_ID
HMDB04811
PubChem 化合物 ID
8449
维基百科链接
http://en.wikipedia.org/wiki/2,4-Dichlorophenol
创建于
2009-03-06 18:58:17 UTC
更新于
2014-12-24 20:21:19 UTC
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