基本情報
- CAS
31472-83-0- 標準SMILES
Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
JAHJITLFJSDRCG-UHFFFAOYSA-N- 分子式
- C12H2Cl8
- 平均分子量
- 429.8 g/mol
- 単同位体質量
- 425.766472
概要
2,2',3,3',4,4',5,6-Octachlorobiphenyl is one of 209 polychlorinated biphenyls (PCBs). PCBs are a group of synthetic organic compounds with 1-10 chlorine atoms attached to biphenyl. They were manufactured as commercial mixtures but banned in the 1970's because they were found to bioaccumulate and cause harmful health effects. However, PCBs do not break down readily and are still found in the environment. (L4)
名称と識別子
- 優先名称
- 2,2',3,3',4,4',5,6-Octachlorobiphenyl
- IUPAC
- 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene
- 現地名
- オクタクロロビフェニル
- 英語名
- tetrachloro(tetrachlorophenyl)benzene
- 分子式
- C12H2Cl8
- 分子量
- 429.76828
名称と別名
2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL2,2',3,3',4,4',5,6-Octachloro-1,1'-biphenylUNII-GBU232J61IGBU232J61I1,1'-Biphenyl, 2,2',3,3',4,4',5,6-octachloro-DTXSID1074171RefChem:53425DTXCID204125052663-78-2PCB 195OCTACHLOROBIPHENYL1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene
名称をさらに表示
ar,ar,ar,ar,ar',ar',ar',ar'-オクタクロロ[1,1'-ビフェニル]オクタクロロビフェニルar,ar,ar,ar,ar',ar',ar',ar'-オクタクロロビフェニルテトラクロロ（テトラクロロフェニル）ベンゼンar,ar,ar,ar,ar′,ar′,ar′,ar′-オクタクロロ[1,1′-ビフェニル]ar,ar,ar,ar,ar',ar',ar',ar'-Octachloro[1,1'-biphenyl]
PCB No. 19531472-83-01,1'-Biphenyl, octachloro-UNII-R323830CJ5Tetrachloro(tetrachlorophenyl)benzeneSCHEMBL2230317SCHEMBL30301086MSK3793
データベース識別子
- CAS
31472-83-0、52663-78-2、55722-26-4
物性
構造計算による物性
- XLogP
- 8.2
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 323
実験および物理化学的性質
LogP7.35
Collision Cross Section177.4 Ų [M-Cl+O]-
物理化学的性質
- 融点
- 150.67 °C · 150.67°C (estimate)
- 沸点
- 509.96 °C · 509.96°C (rough estimate)
- 比重(密度)
- 1.717 · 1.7170 (rough estimate)
- 屈折率
- 1.638 · 1.6380 (rough estimate)
- EPAの化学物質情報
- 1 · 1,1'-Biphenyl, ar,ar,ar,ar,ar',ar',ar',ar'-octachloro- (31472-83-0)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Hazard Traits - Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity
Substance: Tetrachloro(tetrachlorophenyl)benzene
Hazard Classes and CategoriesNot Classified
安全と保護具
Minimum Risk LevelIntermediate Oral: 0.03 ug/kg/day (L134)
毒性情報
Treatment
There are no specific treatments for PCB poisoning, since it is not usually recognized until after substantial chronic exposure. Only preventing further exposure and treating the observed symptoms can be done. Acute inhalation can be treated by administering oxygen. (L4)
Health Effects
The most common health effects of PCBs are skin conditions such as chloracne and rashes. Chronic PCB exposure has also been shown to cause liver, stomach and kidney, damage, jaundice, edema, anemia, changes in the immune system, behavioral alterations, and impaired reproduction. (L4)
Exposure RoutesOral (L4) ; inhalation (L4) ; dermal (L4)
化学と産業
薬理情報
Metabolism/Metabolites
PCBs are absorbed via inhalation, oral, and dermal routes of exposure. They are trasported in the blood, often bound to albumin. Due to their lipophilic nature they tend to accumulate in lipid-rich tissues, such as the liver, adipose, and skin. Metabolism of PCBs is very slow and varies based on the degree and position of chlorination. PCBs are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 enzymes to polar metabolites that can undergo conjugation with glutathione and glucuronic acid. The major metabolites are hydroxylated products which are excreted in the bile and faeces. The slow metabolism of PCBs means they tend to accumulate in body tissues. (L4, T6)
用途と製造
Uses
PCBs were used as coolants and lubricants in transformers, capacitors, and other electrical devices (such as fluorescent lights and refridgerators) produced before 1977. PCBs may contaminate the air and water near hazardous waste sites. In addition, PCBs bioaccumulate in the environment and may be found in fish, meat, and dairy products. (L4)
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