Hexachlorobutadiene
SmallMolecule
T3DB_ID
T3D0022
描述
Hexachlorobutadiene is a man-made chemical primarily produced as a by-product in the production of carbon tetrachloride and tetrachloroethene. It is also used to make rubber compounds, lubricants, in gyroscopes, as a heat transfer liquid, as a hydraulic fluid, and as a solvent. (L93, L94)
类别
"Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Synthetic Toxin"
同义词
"1,1,2,3,4, 4-Hexachloro-1,3-butadiene", "1,1,2,3,4,4-hexachloro-1,3-Butadiene", "1,1,2,3,4,4-Hexachloro-buta-1,3-diene", "1,1,2,3,4,4-hexachlorobuta-1,3-diene", "1,3-Hexachlorobutadiene", "Dolen-pur", "HCB", "HCBD", "Hexachlorbutadiene", "Hexachloro-1,3-Butadiene", "Hexachloro-Butadiene", "Hexachlorobuta-1,3-diene", "Hexachlorobutadiene-(1,3)", "Hexachlorobutadiene13", "Perchloro-1,3-butadiene", "Perchlorobutadiene"
CAS登记号
87-68-3
化学式
C4Cl6
平均分子量
260.761
单同位素质量
257.813116242
IUPAC 名称
hexachlorobuta-1,3-diene
传统名称
hexachlorobutadiene
简化分子线性输入规范
ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl
InChI 标识符
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
InChIKey=RWNKSTSCBHKHTB-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Organohalogen compounds
类型
Vinyl halides
子类
Vinyl chlorides
直接大类
Vinyl chlorides
另外分类
"Chloroalkenes", "Hydrocarbon derivatives", "Organochlorides"
取代基
"Aliphatic acyclic compound", "Chloroalkene", "Haloalkene", "Hydrocarbon derivative", "Organochloride", "Vinyl chloride"
分子框架
Aliphatic acyclic compounds
外部描述符
"organochlorine compound"
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
Liquid
外貌
Colorless liquid.
熔点/沸点/溶解度
-21°C/210-220°C /0.0032 mg/mL at 25 °C [BANERJEE,S et al. (1980)]
日志P
暴露途径
Oral (L94); inhalation (L94); dermal (L94)
毒性机制
It is believed that intermediates produced by modification of the S- 1,1,2,3,4-pentachlorodienyl cysteine derivative metabolite by gamma-glutamyltransferase are responsible for the observed effects on the proximal tubules of the nephrons. These metabolites uncouple oxidative phosphorylation, preventing the generation of ATP, and also inhibit cytochrome c-cytochrome oxidase activity and electron transport. The carcinogenic properties of hexachlorobutadiene are proposed to result from binding of the sulfenic acid degradation product or a thioketene intermediate to cellular DNA. The binding of hexachlorobutadiene to alpha 2u-globulin is believed to be an important factor in its nephrotoxicity. (L94, A54)
代谢
After absorption, most of the hexachlorobutadiene is carried to the liver, where it is metabolized by a glutathione-mediated pathway. It is initially bioactivated to S-glutathione conjugates which may later be metabolized further by beta-lyases and other enzymes. Hexachlorobutadiene and its metabolites preferentially distribute to the kidney, liver, adipose deposits, and possibly the brain. Metabolites are eventually excreted in the urine and faeces. (L94)
毒性值
LD50: 90 mg/kg (Oral, Rat) (T14) LD50: 175 mg/kg (Intraperitoneal, Rat) (T14) LD50: 1211 mg/kg (Dermal, Rabbit) (T14)
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L135)
用途/来源
Hexachlorobutadiene is primarily produced as a by-product in the production of carbon tetrachloride and tetrachloroethene. It is also used to make rubber compounds, lubricants, in gyroscopes, as a heat transfer liquid, as a hydraulic fluid, and as a solvent. (L94)
最低风险等级
Intermediate Oral: 0.0002 mg/kg/day (L134)
健康影响
Hexachlorobutadiene is damaging to the liver and kidney, and may result in fatty liver degeneration, epithelial necrotizing nephritis, central nervous system depression and cyanosis. (L93, L94)
症状
Inhalation of hexachlorobutadiene causes nasal irritation and difficulty breathing. (L94)
治疗
As there is no antidote for hexachlorobutadiene, exposure is usually treated symptomatically. (L94)
药库 ID
HMDB_ID
PubChem 化合物 ID
6901
维基百科链接
创建于
2009-03-06 18:57:56 UTC
更新于
2014-12-24 20:20:54 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0022 Hexachlorobutadiene Estrogen receptor beta
T3D0022 Hexachlorobutadiene Estrogen receptor alpha
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit beta-3
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit beta-2
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit beta-1
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit alpha-4
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit alpha-3
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit alpha-2
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit alpha-1
T3D0022 Hexachlorobutadiene Sodium/potassium-transporting ATPase subunit gamma
T3D0022 Hexachlorobutadiene Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0022 Hexachlorobutadiene Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0022 Hexachlorobutadiene Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0022 Hexachlorobutadiene Plasma membrane calcium-transporting ATPase 4
T3D0022 Hexachlorobutadiene Plasma membrane calcium-transporting ATPase 3
T3D0022 Hexachlorobutadiene Plasma membrane calcium-transporting ATPase 2
T3D0022 Hexachlorobutadiene Plasma membrane calcium-transporting ATPase 1
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit theta
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit rho-3
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit rho-2
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit rho-1
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit pi
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit gamma-3
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit gamma-2
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit gamma-1
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit epsilon
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit delta
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit beta-3
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit beta-2
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit beta-1
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit alpha-6
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit alpha-5
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit alpha-4
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit alpha-3
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit alpha-2
T3D0022 Hexachlorobutadiene Gamma-aminobutyric acid receptor subunit alpha-1
T3D0022 Hexachlorobutadiene Calcium-transporting ATPase type 2C member 2
T3D0022 Hexachlorobutadiene Calcium-transporting ATPase type 2C member 1
T3D0022 Hexachlorobutadiene DNA
T3D0022 Hexachlorobutadiene Apolipoprotein D

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