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2,2',3,3',4,5,5',6-オクタクロロビフェニル

2,2',3,3',4,5,5',6-Octachlorobiphenyl

HCID 50103
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基本情報

CAS
68194-17-2
標準SMILES
Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1
InChIKey
PJHBSPRZHUOIAS-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',4,5,5',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',4,5,5',6-Octachlorobiphenyl
IUPAC
1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzene
現地名
2,2',3,3',4,5,5',6-オクタクロロビフェニル
英語名
2,2',3,3',4,5,5',6-Octachlorobiphenyl
分子式
C12H2Cl8
分子量
429.77

名称と別名

2,2',3,3',4,5,5',6-Octachlorobiphenyl68194-17-2PCB 198UNII-881FKL14GM881FKL14GM2,2',3,3',4,5,5',6-Octachloro-1,1'-biphenyl1,1'-Biphenyl, 2,2',3,3',4,5,5',6-octachloro-DTXSID10742042,2'3,3',4,5,5',6-Octachloro-1,1'-biphenylRefChem:53446DTXCID4045680PCB No. 198
名称をさらに表示
2,2',3,3',4,5,5',6-オクタクロロ-1,1'-ビフェニル2,2',3,3',4,5,5',6-オクタクロロビフェニル2,2′,3,3′,4,5,5′,6‐オクタクロロビフェニル標準品2,2′,3,3′,4,5,5′,6‐オクタクロロビフェニル標準液2,2',3,3',4,5,5',6-オクタクロロビフェニル, 100 µg/mL in Isooctane2,2′,3,3′,4,5,5′,6-オクタクロロビフェニル標準液PCBPCB-198BZNO 198PCB NO 198C20019800 PCB No. 198PCB No. 198 in CyclohexanePCB No. 198 10 μg/mL in IsooctanePCB No. 198 100 μg/mLin IsooctaneL20019800IO PCB No. 198 10μg/mLin Isooctane
1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzeneSCHEMBL4451811MSK3796PJHBSPRZHUOIAS-UHFFFAOYSA-NPCB No. 198 10 |Ig/mL in IsooctanePCB No. 198 10 microg/mL in IsooctanePCB No. 198 100 |Ig/mL in IsooctanePCB No. 198 100 microg/mL in Isooctane

データベース識別子

CAS
68194-17-2
PubChem CID
50103
DTXSID
DTXSID1074204
UNII
881FKL14GM
EC Number
680-458-1
Nikkaji
J431.717C

物性

構造計算による物性

XLogP
8.1
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

LogP7.43

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)
Henry's Law Constant
7 · 7.0×10-1 mol/(m3Pa) at 25℃, Brunner et al. (1990)
EPAの化学物質情報
2 · 2,2',3,3',4,5,5',6-Octachlorobiphenyl (68194-17-2)

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 · 3 件

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

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 · 1 件

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 · 1 件

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)
Toxicity Summary · 1 件

The mechanism of action varies with the specific PCB. Dioxin-like PCBs bind to the aryl hydrocarbon receptor, which disrupts cell function by altering the transcription of genes, mainly be inducing the expression of hepatic Phase I and Phase II enzymes, especially of the cytochrome P450 family. Most of the toxic effects of PCBs are believed to be results of Ah receptor binding. Other PBCs are believed to interfere with calcium channels and/or change brain dopamine levels. PCBs can also cause endocrine disurption by altering the production of thyroid hormones and binding to estrogen receptors, which can stimulate the growth of certain cancer cells and produce other estrogenic effects, such as reproductive dysfunction. They will bioaccumulate by binding to receptor proteins such as uteroglobin. (A3, A4, A30, A66)

Signs and SymptomsChronic PCB exposure results in symptoms such as abdominal pain, nausea, vomiting, diarrhea, headache, dizziness, depression, nervousness, dermal and ocular lesions, fatigue, irregular menstrual cycles and a lowered immune response. (A3)
Carcinogen Classification1, carcinogenic to humans. (L135)
Toxicity DataLD50: 1010 mg/kg (Oral, Rat) (T14) LD50: 880 mg/kg (Intraperitoneal, Mouse) (T14)

安全データ

化審法
-1
安衛法
特定化学物質障害予防規則:第1類物質,57,57-2
消防法
危-4-1-II

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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 · 1 件

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)

応用分野

使用2,2'',3,3'',4,5,5'',6-Octachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

上流・下流製品情報

上流原料

1,2,3,4,5-ペンタクロロ-6-ヨードベンゼン1,2,5-トリクロロ-3-ヨードベンゼン2,3,5-トリクロロアニリンペンタクロロベンゼン

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