Chlorobenzene
SmallMolecule
T3DB_ID
T3D0104
描述
Chlorobenzene is an aromatic organic compound with the chemical formula C6H5Cl. This colorless, flammable liquid is a common solvent and a widely used intermediate in the manufacture of other chemicals. Rhodococcus phenolicus is a bacterium species able to degrade chlorobenzene as sole carbon sources. Chlorobenzene exhibits low to moderate toxicity as indicated by its LD50 of 2.9 g/kg. Chronic (long-term) exposure of humans to chlorobenzene affects the central nervous system (CNS). Signs of neurotoxicity in humans include numbness, cyanosis, hyperesthesia (increased sensation), and muscle spasms.
类别
"Pesticide", "Household Toxin", "Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Synthetic Toxin"
同义词
"6-Chlorobenzene-1,2,4-triol", "6-Chlorohydroxyquinol", "Abluton T30", "Benzene chloride", "Chlorbenzene", "Chlorbenzol", "Chloro-Benzene", "Chlorobenzen", "Chlorobenzol", "Clorobenzene", "MCB", "Mono-Chlorobenzene", "Monochlorbenzene", "Monochlorbenzol", "Monochlorobenzene", "Monoclorobenzene", "PhCl", "Phenyl Chloride", "Tetrosin SP"
CAS登记号
108-90-7
化学式
C6H5Cl
平均分子量
112.557
单同位素质量
112.007977867
IUPAC 名称
chlorobenzene
传统名称
chlorobenzene
简化分子线性输入规范
ClC1=CC=CC=C1
InChI 标识符
InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKey=MVPPADPHJFYWMZ-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
Chlorobenzenes
另外分类
"Aryl chlorides", "Hydrocarbon derivatives", "Organochlorides"
取代基
"Aromatic homomonocyclic compound", "Aryl chloride", "Aryl halide", "Chlorobenzene", "Hydrocarbon derivative", "Organochloride", "Organohalogen compound"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"an aromatic compound", "monochlorobenzenes"
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
-45.2°C/132°C (269.6°F)/0.498 mg/mL at 25°C
日志P
2.84
暴露途径
Oral (L200) ; inhalation (L200)
毒性机制
The reactive metabolites of chlorobenzene are believed to bind both liver and kidney proteins, causing direct damage. Chlorobenzene also activates nuclear factor-kappa B (NF-kappa B) and p38 mitogen-activated protein kinase, inducing the release of monocyte chemoattractant protein 1 (MCP-1) by lung epithelial cells, causing an inflammatory reponse. (T36, A141)
代谢
Chlorobenzene is known to be absorbed via ingestion and inhahation. As it is a lipophilic compound, chlorobenzene distributes preferentially to adipose tissue. It is metabolized by cytochrome P-450 enzymes into its major metabolite 4-chlorocatechol. Unchanged chlorobenzene is exhalted and its metabolites are excreted mainly in the urine. (L200)
毒性值
LD50: 515 mg/kg (Intraperitoneal, Mouse) (T26) LD50: 2290 mg/kg (Oral, Rat) (T26) LD50: 1110 mg/kg (Subcutaneous, Rat) (T26)
致死剂量
致癌性
No indication of carcinogenicity to humans (not listed by IARC).
用途/来源
Chlorobenzene is used as a solvent for some pesticide formulations, to degrease automobile parts, and as a chemical intermediate to make several other chemicals. (L200)
最低风险等级
Intermediate Oral: 0.4 mg/kg/day (L134)
健康影响
Effects on the central nervous system from breathing chlorobenzene may include unconsciousness and death. Chronic exposure can cause liver and kidney damage. (L200)
症状
Symptoms of chlorobenzene exposure include headaches, nausea, sleepiness, numbness, and vomiting. Effects on the central nervous system from breathing chlorobenzene include unconsciousness, tremors, restlessness, and death. (L200)
治疗
Treatment is mainly symptomatic and supportive. (T36)
药库 ID
HMDB_ID
HMDB41855
PubChem 化合物 ID
7964
维基百科链接
http://en.wikipedia.org/wiki/Chlorobenzene
创建于
2009-03-06 18:58:05 UTC
更新于
2014-12-24 20:21:07 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0104 Chlorobenzene Estrogen receptor beta
T3D0104 Chlorobenzene Estrogen receptor alpha
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit beta-3
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit beta-2
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit beta-1
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit alpha-4
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit alpha-3
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit alpha-2
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit alpha-1
T3D0104 Chlorobenzene Sodium/potassium-transporting ATPase subunit gamma
T3D0104 Chlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0104 Chlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0104 Chlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0104 Chlorobenzene Plasma membrane calcium-transporting ATPase 4
T3D0104 Chlorobenzene Plasma membrane calcium-transporting ATPase 3
T3D0104 Chlorobenzene Plasma membrane calcium-transporting ATPase 2
T3D0104 Chlorobenzene Plasma membrane calcium-transporting ATPase 1
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit theta
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit rho-3
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit rho-2
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit rho-1
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit pi
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit gamma-3
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit gamma-2
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit gamma-1
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit epsilon
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit delta
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit beta-3
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit beta-2
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit beta-1
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit alpha-6
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit alpha-5
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit alpha-4
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit alpha-3
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit alpha-2
T3D0104 Chlorobenzene Gamma-aminobutyric acid receptor subunit alpha-1
T3D0104 Chlorobenzene Calcium-transporting ATPase type 2C member 2
T3D0104 Chlorobenzene Calcium-transporting ATPase type 2C member 1

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