1,1-Dichloroethene
SmallMolecule
T3DB_ID
T3D0079
描述
1,1-Dichloroethene is a manufactured organochloride compound. It is used in the production of certain plastics as a comonomer in the polymerization of vinyl chloride, acrylonitrile, and acrylates. It is also used to make flame retardant coatings for fiber and carpet backings, and in piping, coating for steel pipes, and in adhesive applications. (L185, L186)
类别
"Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Synthetic Toxin"
同义词
"1,1-DCE", "1,1-Dichloroethene monomer", "1,1-Dichloroethylene", "Monovinylidene chloride", "Sconatex", "Vinylidene chloride", "Vinylidene chloride (II)", "Vinylidene chloride(II)", "Vinylidene chloride, inhibited", "Vinylidene chloride, monomer", "Vinylidene dichloride", "Vinylidine chloride"
CAS登记号
75-35-4
化学式
C2H2Cl2
平均分子量
96.943
单同位素质量
95.953355478
IUPAC 名称
1,1-dichloroethene
传统名称
vinylidene chloride
简化分子线性输入规范
ClC(Cl)=C
InChI 标识符
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
InChIKey=LGXVIGDEPROXKC-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Organic oxygen compounds
类型
Organooxygen compounds
子类
Ketene acetals
直接大类
Ketene acetals
另外分类
"Chloroalkenes", "Hydrocarbon derivatives", "Organochlorides", "Vinyl chlorides"
取代基
"Aliphatic acyclic compound", "Chloroalkene", "Haloalkene", "Hydrocarbon derivative", "Ketene acetal or derivatives", "Organochloride", "Organohalogen compound", "Vinyl chloride", "Vinyl halide"
分子框架
Aliphatic acyclic compounds
外部描述符
"a small molecule", "chloroethenes"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Cytoplasm", "Extracellular"
生物流体位置
组织位置
途径
状态
Liquid
外貌
熔点/沸点/溶解度
-122.5°C/32°C/2.42 mg/mL at 25 °C [HORVATH,AL et al. (1999)]
日志P
暴露途径
Oral (L16) ; inhalation (L16) ; dermal (L16)
毒性机制
1,1-Dichloroethene toxicity is caused by its reactive metabolites, which include epoxides, acyl chlorides, and halogenated aldehydes generated via oxidation by cytochrome P-450 2E1. These metabolites, especially 2,2-dichloroacetaldehyde and 2-chloroacetyl chloride, damage the liver by binding to cellular macromolecules. They also form glutathione S conjugates by the action of glutathione S-transferases located in the hepatic cytosol and microsomes. These are delivered to the kidney, where renal processing by beta-lyase and cysteine conjugate S-oxidase lead to nephrotoxic products. The metabolites are also known to damage the bronchiolar Clara cells in the lung. (L185)
代谢
1,1-Dichloroethene is absorbed via oral, inhalation, and dermal routes. It is rapidly distributed in the body, mainly to the liver and kidneys. Hepatic microsomal cytochrome P-450 enzymes metabolize 1,1-dichloroethene into its toxic metabolites, which include epoxides, acyl chlorides, and halogenated aldehydes. The main metabolites are believed to be 2,2-dichloroacetaldehyde and 2-chloroacetyl chloride. These are later detoxified by hydroxylation and conjugation with glutathione. Excretion of 1,1-dichloroethene metabolites occurs primarily in the urine and exhaled air. (L185)
毒性值
LD50: 200 mg/kg (Oral, Rat) (T14) LC50: 6350 ppm/4 hr (Inhalation, Rat) (T14)
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L135)
用途/来源
1,1-Dichloroethene is used in the production of certain plastics as a comonomer in the polymerization of vinyl chloride, acrylonitrile, and acrylates. It is also used to make flame retardant coatings for fiber and carpet backings, and in piping, coating for steel pipes, and in adhesive applications. (L185, T14)
最低风险等级
Intermediate Inhalation: 0.02 ppm (L134) Chronic Oral: 0.009 mg/kg/day (L134)
健康影响
1,1-Dichloroethene mainly affects the central nervous system. It may lead to sedation, inebriation, convulsions, spasms, and unconsciousness. 1,1-Dichloroethene may also damage the livers, kidneys, and lungs. (L185, L186)
症状
1,1-Dichloroethene mainly affects the central nervous system and may lead to sedation, inebriation, convulsions, spasms, and unconsciousness. It also irritates the respiratory tract, eyes, and skin upon contact. (L185)
治疗
Treatment of 1,1-dichloroethene poisoning is mainly symptomatic. It may include respiratory assistance, gastric lavage, and/or the oral administration of activated charcoal. (L187)
药库 ID
HMDB_ID
PubChem 化合物 ID
6366
维基百科链接
创建于
2009-03-06 18:58:02 UTC
更新于
2014-12-24 20:21:03 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0079 1,1-Dichloroethene Estrogen receptor beta
T3D0079 1,1-Dichloroethene Estrogen receptor alpha
T3D0079 1,1-Dichloroethene Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0079 1,1-Dichloroethene Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0079 1,1-Dichloroethene Plasma membrane calcium-transporting ATPase 4
T3D0079 1,1-Dichloroethene Plasma membrane calcium-transporting ATPase 3
T3D0079 1,1-Dichloroethene Plasma membrane calcium-transporting ATPase 2
T3D0079 1,1-Dichloroethene Plasma membrane calcium-transporting ATPase 1
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit theta
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit rho-3
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit rho-2
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit rho-1
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit pi
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit gamma-3
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit gamma-2
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit gamma-1
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit epsilon
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit delta
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit beta-3
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit beta-2
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit beta-1
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit alpha-6
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit alpha-5
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit alpha-4
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit alpha-3
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit alpha-2
T3D0079 1,1-Dichloroethene Gamma-aminobutyric acid receptor subunit alpha-1
T3D0079 1,1-Dichloroethene Calcium-transporting ATPase type 2C member 2
T3D0079 1,1-Dichloroethene Calcium-transporting ATPase type 2C member 1
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit beta-3
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit beta-2
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit beta-1
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit alpha-4
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit alpha-3
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit alpha-2
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit alpha-1
T3D0079 1,1-Dichloroethene Sodium/potassium-transporting ATPase subunit gamma
T3D0079 1,1-Dichloroethene Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0079 1,1-Dichloroethene Transient receptor potential cation channel subfamily A member 1
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