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2,3,3',4,4',5-ヘキサクロロ-1,1'-ビフェニル

2,3,3',4,4',5-Hexachlorobiphenyl

HCID 38019
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
38380-08-4
標準SMILES
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl
InChIKey
LCXMEXLGMKFLQO-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',4,4',5-Hexachlorobiphenyl is a dichlorobenzene, a tetrachlorobenzene and a hexachlorobiphenyl.

名称と識別子

優先名称
2,3,3',4,4',5-Hexachlorobiphenyl
IUPAC
1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
現地名
2,3,3',4,4',5-ヘキサクロロ-1,1'-ビフェニル
英語名
2,3,3',4,4',5-Hexachlorobiphenyl
分子式
C12H4Cl6
分子量
360.88

名称と別名

2,3,3',4,4',5-HEXACHLOROBIPHENYL38380-08-4PCB 1563,4,2',3',4',5'-Hexachlorobiphenyl2,3,3',4,4',5-Hexachloro-1,1'-biphenyl2,3,4,5,3',4'-Hexachlorobiphenyl1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzeneDTXSID00527064D6049M2OCRefChem:53604DTXCID9031301620-601-7
名称をさらに表示
2,3,3',4,4',5-ヘキサクロロ-1,1'-ビフェニル2,3,4,5,3',4'-ヘキサクロロ-1,1'-ビフェニル2,3,3',4,4',5-ヘキサクロロビフェニルPCB #1562,3,3',4,4',5-六塩化ビフェニル2,3,3′,4,4′,5‐ヘキサクロロビフェニル標準品2,3,3′,4,4′,5‐ヘキサクロロビフェニル標準液2,3,3',4,4',5-HEXACB 100 UG/ML IN ISOOCTANE2,3,3',4,4',5-HEXACB (UNLABELED 35 UG/ML IN ISOOCTANE)2,3,3',4,4',5-HEXACB (PCB-156) (13C12, 99%) 40+/-2 UG/ML IN NONANEPCB NO 156 溶液2,3,3',4,4',5-ヘキサクロロビフェニル, 100 µg/mL in Isooctane2,3,3′,4,4′,5-ヘキサクロロビフェニル2,3,3′,4,4′,5-ヘキサクロロ-1,1′-ビフェニル2,3,4,5,3′,4′-ヘキサクロロ-1,1′-ビフェニル

物性

構造計算による物性

XLogP
7.6
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
286

実験および物理化学的性質

LogP6.75
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 3 件

167.7 Ų [M-Cl+O]-

164.54 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

167.2 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

物理化学的性質

融点
127 °C · 127°C
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)
闪点
-23 °C · -23 °C
貯蔵温度
2 · 2-8°C
溶解性
クロロホルム(微量)、酢酸エチル(微量)
外見
個体
色
ホワイトからオフホワイト
水溶解度
5.33 ug/L · 5.33ug/L(20℃)
Henry's Law Constant
6.8 · 6.8×10-2 mol/(m3Pa) at 25℃, Fang et al. (2006)
EPAの化学物質情報
2 · 2,3,3',4,4',5-Hexachlorobiphenyl (38380-08-4)

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 · 5 件

This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.

Warning

H373 (92.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Hazard Traits - Bioaccumulation; Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Environmental Persistence; Environmental tox; Hematotoxicity; Hepatotoxicity and Digestive System Toxicity; Reproductive Toxicity; Respiratory Toxicity

Regulation (EC) No 178/2002 (amended)

Substance: 2,3,3',4,4',5-Hexachlorobiphenyl

Hazard Classes and CategoriesSTOT RE 2 (92.9%)

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)

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3,4,2'',3'',4'',5''-Hexachlorobiphenyl is a toxic organic pollutant.

上流・下流製品情報

下流製品

2,4,4'-トリクロロ[1,1'-ビフェニル]

サプライヤー28 社

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司

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
2,3,3′,4,4′,5-ヘキサクロロビフェニル標準液
CB156
BZ-156
BZ NO 156
233445HXCB
PCB NO 156
PCB No. 156 10
Neotame Impurity 4
C20015600 PCB No. 156
PCB No 156 solution
PCB-1561,1'-Biphenyl, 2,3,3',4,4',5-hexachloro-PCB No. 156CHEMBL136496CB 156BRN 2468827UNII-4D6049M2OCSCHEMBL2279549

データベース識別子

CAS
38380-08-4
PubChem CID
38019
DTXSID
DTXSID0052706
ChEMBL
CHEMBL136496
ChEBI
CHEBI:81522
UNII
4D6049M2OC
EC Number
620-601-7
Nikkaji
J151.552G
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)
RAIS Toxicity Values · 6 件

0.00114

WHO/TEF

0.00133333333333333

WHO/TEF

2.33333333333333e-05

WHO/TEF

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 件

1.20e-01

5.00e-01

2.50e-03

1.10e-02

4.00e-03

5.00e+02

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 件

4.10e+00

5.00e+01

2.50e-01

1.10e+00

4.00e-01

5.00e+02

安全データ

wgk
2
ridadr
UN 1208 3/PG 2
risk_code
11-38-48/20-51/53-62-65-67-33-50/53
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
hazard_code
F,Xn,N
safety_code
9-16-29-33-36/37-61-62-60
400-6206333 13167063860 · [email protected]
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Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Aladdin Scientific[email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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