1,4-Dichlorobenzene
SmallMolecule
T3DB_ID
T3D0159
描述
1,4-Dichlorobenzene (p-DCB, para-dichlorobenzene) is an organic compound with the formula C6H4Cl2. This colorless solid has a strong odor. In terms of its structure, the molecule consists of two chlorine atoms substituted for hydrogen at opposing sites on a benzene ring. p-DCB is used a pesticide and a deodorant, most familiarly in mothballs in which it is a replacement for the more traditional naphthalene. p-DCB is also used as a precursor in the production of the polymer poly(p-phenylene sulfide). Under California's Proposition 65, p-DCB is listed as known to the State to cause cancer.[8] A probable mechanism for the carcinogenic effects of mothballs and some types of air fresheners containing p-DCB has been identified.
类别
"Pesticide", "Household Toxin", "Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Food Toxin", "Synthetic Toxin"
同义词
"1, 4-Dichlorobenzene", "1,4-Chlorobenzene", "1,4-Dichloorbenzeen", "1,4-Dichlor-benzol", "1,4-Dichloro-Benzene", "Di-chloricide", "Dichlorobenzene", "Dichlorocide", "Evola", "Globol", "Kaydox", "p-Chlorophenyl chloride", "p-Dichlorbenzol", "p-Dichloro-Benzene", "p-Dichlorobenzene", "p-Dichlorobenzol", "p-Diclorobenzene", "PARA", "Para crystals", "para-Dichlorobenzene", "Paracide", "Paradi", "Paradichlorbenzol", "Paradichlorobenzene", "Paradichlorobenzol", "Paradow", "Paramoth", "Paranuggets", "Parazene", "PDB", "PDCB", "Persia-Perazol", "Santochlor"
CAS登记号
106-46-7
化学式
C6H4Cl2
平均分子量
147.002
单同位素质量
145.969005542
IUPAC 名称
1,4-dichlorobenzene
传统名称
paradi
简化分子线性输入规范
ClC1=CC=C(Cl)C=C1
InChI 标识符
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey=OCJBOOLMMGQPQU-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
"Aryl chlorides", "Hydrocarbon derivatives", "Organochlorides"
取代基
"1,4-dichlorobenzene", "Aromatic homomonocyclic compound", "Aryl chloride", "Aryl halide", "Hydrocarbon derivative", "Organochloride", "Organohalogen compound"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"Fumigant", "a chloroaromatic compound", "dichlorobenzene"
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.
熔点/沸点/溶解度
52.7°C//0.0813 mg/mL at 25°C
日志P
3.44
暴露途径
Inhalation (L397) ; oral (L397) ; dermal (L397) ; eye contact (L397)
毒性机制
The hepatotoxicity and nephrotoxicity observed in laboratory animals are likely due to the formation of toxic intermediates formed while converting 1,4-DCB to 2,5-dichlorophenol by cytochrome P-450, or by depletion of GSH at higher doses of 1,4-DCB, or both. (L395)
代谢
Absorption of 1,4-DCB is rapid and essentially complete following inhalation or oral exposure. It is distributed throughout the body, preferentially to the fat tissue and organ-specific sites within the body, following the order: adipose > kidney > liver > blood. 1,4-DCB is initially metabolized by cytochrome P-450 enzymes, specifically P4502E1, to an active epoxide followed by hydrolysis to 2,5-dichlorophenol, which may be further oxidized to dichlorocatechols, or possibly a dichlorohydroquinone. More often, it might be conjugated to sulfate, or to form the glucuronide, or mercapturic acid; conjugation occurs extensively, with virtually no unconjugated metabolites reported in the available studies. Metabolism is believed to occur mainly in the liver, but may occur at lower levels in other tissues, such as the kidney or lung. 1,4-DCB is eliminated almost exclusively in the urine, primarily as conjugates of 2,5-dichlorophenol. (L395)
毒性值
LD50: >6000 mg/kg/day (Dermal, Rat) (L395) LD50: 500 mg/kg/day (Oral, Rat) (L395)
致死剂量
致癌性
2B, possibly carcinogenic to humans. (L135)
用途/来源
1,4-DCB is used a pesticide and a deodorant, most famously in mothballs in which it is a replacement for the more traditional naphthalene. 1,4-DCB is also used as a precursor in the production of the polymer poly(p-phenylene sulfide). 1,4-DCB also is used to make deodorant blocks used in garbage cans and restrooms, and to help control odors in animal-holding facilities. 1,4-DCB has been used as an insecticide on fruit and as an agent to control mold and mildew growth on tobacco seeds, leather, and some fabrics. Recently, using 1,4-DCB to make resins has become very important. Exposure may result from breathing vapors from 1,4-DCB products, drinking contaminated water or eating contaminated food (However, the levels of p-DCB in foods are generally low), and eye exposure. (L393, L395, L397)
最低风险等级
Acute Inhalation: 2 ppm (L395) Intermediate Inhalation: 0.2 ppm (L395) Chronic Inhalation: 0.01 ppm (L395) Intermediate Oral: 0.07 mg/kg/day (Rodent) (L395) Chronic Oral: 0.07 mg/kg/day (Rat) (L395)
健康影响
Prolonged exposure to high concentration of 1,4-DCB may cause weakness, dizziness, loss of weight, liver injury. Chronic (months to years) ingestion of 1,4-DCB products can provoque skin blotches and problems with red blood cells, such as anemia. There is an indication that 1,4-DCB can affect the development of the nervous system after birth. 1,4-DCB is possibly a human carcinogen. (L395, T63)
症状
Burning sensation, cough, drowsiness, headache, nausea, shortness of breath, and vomiting can follow inhalation or ingestion of 1,4-DCB. Moreover, its ingestion can cause diarrhoea. Eye exposure can lead to redness and pain of the contact surface. Vapors may cause irritation to skin, nose, throat, and eyes. Solid p-dichlorobenzene has very little effect on the skin. (L395, T63)
治疗
Administer charcoal as a slurry (240 mL water/30 g charcoal). Following inhalation, move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. After eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If the exposure occurs through dermal contact, remove contaminated clothing and wash exposed area thoroughly with soap and water. In any case, a physician may need to examine the area if irritation or pain persists. (T36)
药库 ID
HMDB_ID
HMDB41971
PubChem 化合物 ID
4685
维基百科链接
http://en.wikipedia.org/wiki/1.4-Dichlorobenzene
创建于
2009-03-06 18:58:11 UTC
更新于
2014-12-24 20:21:14 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0159 1,4-Dichlorobenzene Estrogen receptor beta
T3D0159 1,4-Dichlorobenzene Estrogen receptor alpha
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit beta-3
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit beta-2
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit beta-1
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-4
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-3
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-2
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-1
T3D0159 1,4-Dichlorobenzene Sodium/potassium-transporting ATPase subunit gamma
T3D0159 1,4-Dichlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0159 1,4-Dichlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0159 1,4-Dichlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0159 1,4-Dichlorobenzene Plasma membrane calcium-transporting ATPase 4
T3D0159 1,4-Dichlorobenzene Plasma membrane calcium-transporting ATPase 3
T3D0159 1,4-Dichlorobenzene Plasma membrane calcium-transporting ATPase 2
T3D0159 1,4-Dichlorobenzene Plasma membrane calcium-transporting ATPase 1
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit theta
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit rho-3
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit rho-2
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit rho-1
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit pi
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit gamma-3
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit gamma-2
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit gamma-1
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit epsilon
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit delta
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit beta-3
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit beta-2
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit beta-1
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-6
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-5
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-4
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-3
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-2
T3D0159 1,4-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-1
T3D0159 1,4-Dichlorobenzene Calcium-transporting ATPase type 2C member 2
T3D0159 1,4-Dichlorobenzene Calcium-transporting ATPase type 2C member 1
T3D0159 1,4-Dichlorobenzene Transient receptor potential cation channel subfamily A member 1
T3D0159 1,4-Dichlorobenzene Hepatocyte nuclear factor 4-alpha
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