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2,3,3',4',5,6-ヘキサクロロ-1,1'-ビフェニル

PCB No. 163

HCID 63079
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
74472-44-9
標準SMILES
Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl
InChIKey
ZAGRQXMWMRUYRB-UHFFFAOYSA-N
分子式
C12H4Cl6
平均分子量
360.9 g/mol
単同位体質量
357.844416

概要

2,3,3',4,5,6-Hexachlorobiphenyl 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
PCB No. 163
IUPAC
1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene
現地名
2,3,3',4',5,6-ヘキサクロロ-1,1'-ビフェニル
英語名
2,3,3',4',5,6-Hexachlorobiphenyl
分子式
C12H4Cl6
分子量
360.88

名称と別名

PCB 163PCB No. 1631,1'-Biphenyl,2,3,3',4',5,6-hexachloro-SCHEMBL4450479ZAGRQXMWMRUYRB-UHFFFAOYSA-NPCB No. 163 10 |Ig/mL in IsooctanePCB No. 163 10 microg/mL in IsooctaneNS00077117H552811,1'-Biphenyl, 2,3,3',4',5,6-hexachloroQ272787692,3,3',4',5,6-ヘキサクロロビフェニル
名称をさらに表示
2,3,3',4',5,6-ヘキサクロロ-1,1'-ビフェニル2,3,3′,4′,5,6‐ヘキサクロロビフェニル標準品2,3,3′,4′,5,6‐ヘキサクロロビフェニル標準液2,3,3',4',5,6-ヘキサクロロビフェニル, 100 µg/mL in Isooctane2,3,3′,4′,5,6-ヘキサクロロビフェニル2,3,3′,4′,5,6-ヘキサクロロ-1,1′-ビフェニルPCB-1632,3,3′,4′,5,6-ヘキサクロロビフェニル標準液BZNO 163PCB NO 1632,3,3',4',5,6-C20016300 PCB No. 1632,3,3',4',5,6-Hexachlorobiphenyl2,3,3',4',5,6-hexaachlorobiphenylPCB No. 163 10 μg/mL in Isooctane2,3,3',4',5,6-Hexachloro-1,1'-biphenylL20016300IO PCB No. 163 10μg/mLin Isooctane

物性

構造計算による物性

XLogP
7.2
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
18
形式電荷
0
複雑度
272

実験および物理化学的性質

LogP6.78
Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点
115.76 °C · 115.76°C (estimate)
沸点
446.99 °C · 446.99°C (rough estimate)
比重(密度)
1.594 · 1.5940 (rough estimate)
屈折率
1.627 · 1.6270 (rough estimate)
水溶解度
5.3 ug/L · 5.3ug/L(25℃)
Henry's Law Constant
2.1 · 2.1×10-2 mol/(m3Pa) at 25℃, Bamford et al. (2002)
EPAの化学物質情報
2 · 2,3,3',4',5,6-Hexachlorobiphenyl (74472-44-9)

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。

安全と保護具

Minimum Risk Level · 2 件

Intermediate Oral: 0.03 ug/kg/day (L134)

Intermediate Oral: 0.03 ug/kg/day (L134)

毒性情報

Treatment · 2 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)

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 · 2 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)

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 Routes · 2 件

Oral (L4) ; inhalation (L4) ; dermal (L4)

Oral (L4) ; inhalation (L4) ; dermal (L4)

Toxicity Summary · 2 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)

化学と産業

薬理情報

Metabolism/Metabolites · 2 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)

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 · 2 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)

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

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

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
74472-44-9
PubChem CID
63079
DTXSID
DTXSID8074233
UNII
G54FDS4BNB
Nikkaji
J151.530F

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 Symptoms · 2 件

Chronic 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)

Chronic 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 Classification · 2 件

1, carcinogenic to humans. (L135)

1, carcinogenic to humans. (L135)

Toxicity Data · 2 件

LD50: 1010 mg/kg (Oral, Rat) (T14) LD50: 880 mg/kg (Intraperitoneal, Mouse) (T14)

LD50: 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
使用

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