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2,2',4',5,5'-ペンタクロロ-1,1'-ビフェニル

Pcb 101

HCID 37807
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
37680-73-2
標準SMILES
Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIKey
LAHWLEDBADHJGA-UHFFFAOYSA-N
分子式
C12H5Cl5
平均分子量
326.4 g/mol
単同位体質量
323.883389

概要

1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene is a polychlorobiphenyl.

名称と識別子

優先名称
Pcb 101
IUPAC
1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
現地名
2,2',4',5,5'-ペンタクロロ-1,1'-ビフェニル
英語名
2,2',4,5,5'-PENTACHLOROBIPHENYL
分子式
C12H5Cl5
分子量
326.43

名称と別名

37680-73-22,2',4,5,5'-PENTACHLOROBIPHENYLPCB 1011,2,4-trichloro-5-(2,5-dichlorophenyl)benzene2,4,5,2',5'-Pentachlorobiphenyl803YVI5BNPPCB101DTXSID8038304RefChem:53522DTXCID6018304621-393-01,1'-Biphenyl, 2,2',4,5,5'-pentachloro-
名称をさらに表示
2,2',4,5,5'-ペンタクロロビフェニル2,2',4',5,5'-ペンタクロロビフェニル2,2',4,5,5'-ペンタクロロ-1,1'-ビフェニル2,2',4',5,5'-ペンタクロロ-1,1'-ビフェニル2,2′,4,5,5′‐ペンタクロロビフェニル標準品2,2′,4,5,5′‐ペンタクロロビフェニル標準液2,2',4,5,5'-PCB (#101)2,2',4,5,5'-PENTACB 100 UG/ML IN ISOOCTANE2,2',4,5,5'-PENTACB (PCB-101) (13C12, 99%) 40+/-2 UG/ML IN NONANEPCB NO 101 溶液2,2',4,5,5'-ペンタクロロビフェニル, 100 µg/mL in Isooctane2,2′,4′,5,5′-ペンタクロロ-1,1′-ビフェニル2,2′,4,5,5′-ペンタクロロビフェニル2,2′,4′,5,5′-ペンタクロロビフェニル2,2′,4,5,5′-ペンタクロロ-1,1′-ビフェニル2,2′,4,5,5′-ペンタクロロビフェニル標準液NO 101

物性

構造計算による物性

XLogP
6.5
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
17
形式電荷
0
複雑度
259

実験および物理化学的性質

PolymersPolychlorinated biphenyl
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.3
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2 件

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

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

物理化学的性質

融点
78 ℃ · 78℃
沸点
412.3 °C · 412.3°C (rough estimate)
比重(密度)
1.522 · 1.5220 (rough estimate)
屈折率
1.62 · 1.6200 (rough estimate)
闪点
4 °C · 4 °C
貯蔵温度
2 · 2-8°C
溶解性
Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
水溶解度
11 ug/L · 11ug/L(25℃)
BRN
2507418 · 2507418

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 · 4 件

Warning

H373 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Hazard Traits - Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity

Substance: 2,2',4,5,5'-pentachlorobiphenyl

Hazard Classes and CategoriesSTOT RE 2 (100%)

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 · 2 件

2,2',4,5,5'-pentachlorobiphenyl has known human metabolites that include 2,2',4',5,5'-pentachloro-[1,1'-biphenyl]-4-ol.

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)

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35 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400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司

関連反応

0 件
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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
PCB101/84
BZ NO 101
PCB No. 101 10
2,2',4,5,5'-PCB
PCB101 in Octane
BALLSCHMITER NO 101
C20010100 PCB No. 101
2,2',4,5,5'-Pentachloro-1,1'-biphenylPCB No. 101CB 101; PCB 101K 101UNII-803YVI5BNPPCB No 101PCB-1012,2',4,5,5'Pentachlorobiphenyl

データベース識別子

CAS
37680-73-2
PubChem CID
37807
DTXSID
DTXSID8038304
ChEMBL
CHEMBL14041
ChEBI
CHEBI:233349
UNII
803YVI5BNP
EC Number
621-393-0
Nikkaji
J147.958J
Henry's Law Constant
3.2 · 3.2×10-2 mol/(m3Pa) at 25℃, Li et al. (2003)
InChI
InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
InChIKey
LAHWLEDBADHJGA-UHFFFAOYSA-N
SMILES
C1(C2=CC(Cl)=CC=C2Cl)=CC(Cl)=C(Cl)C=C1Cl
CAS データベース
37680 · 37680-73-2
EPAの化学物質情報
2 · 2,2',4,5,5'-Pentachlorobiphenyl (37680-73-2)
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

wgk
3
ridadr
2315
risk_code
33-50/53-67-65-38-11
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
N,Xn,F
safety_code
35-60-61-62-16-33-29-9
hazard_class
9
packing_group
II
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Aladdin Scientific[email protected]
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