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2,2',5-トリクロロ[1,1'-ビフェニル]

2,2',5-Trichlorobiphenyl

HCID 37803
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
37680-65-2
標準SMILES
Clc1ccc(Cl)c(-c2ccccc2Cl)c1
InChIKey
DCMURXAZTZQAFB-UHFFFAOYSA-N
分子式
C12H7Cl3
平均分子量
257.5 g/mol
単同位体質量
255.961333

概要

2,2',5-Trichlorobiphenyl 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',5-Trichlorobiphenyl
IUPAC
1,4-dichloro-2-(2-chlorophenyl)benzene
現地名
2,2',5-トリクロロ[1,1'-ビフェニル]
英語名
2,2',5-Trichlorobiphenyl
分子式
C12H7Cl3
分子量
257.54

名称と別名

2,2',5-TRICHLOROBIPHENYL37680-65-2PCB 182,5,2'-Trichlorobiphenyl1,1'-Biphenyl, 2,2',5-trichloro-1,4-dichloro-2-(2-chlorophenyl)benzene2,2',5-Trichloro-1,1'-biphenyl2,2',5'-Trichlorobiphenyl6LEV53Y3OXDTXSID60734912,2',5-TBPRefChem:53543
名称をさらに表示
2,2',5-トリクロロ[1,1'-ビフェニル]2,2',5-トリクロロ-1,1'-ビフェニル2,2',5'-トリクロロビフェニル2,2',5-トリクロロビフェニル2,5,2'-トリクロロビフェニル2,2′,5‐トリクロロビフェニル標準品2,2′,5‐トリクロロビフェニル標準液2,2',5-PCB (#18)2,2',5-トリクロロビフェニル (35ΜG/ML イソオクタン溶液)2,2',5-トリクロロビフェニル, 100 µg/mL in Isooctane2,2′,5-トリクロロビフェニル2,2′,5-トリクロロ-1,1′-ビフェニル2,5,2′-トリクロロビフェニル2,2′,5′-トリクロロビフェニル2,2′,5-トリクロロ[1,1′-ビフェニル]PCB-184-[ジメチル(オクタデシル)アザニウミル]ブタノアートN-(3-カルボキシラトプロピル)-N,N-ジメチル-1-オクタデカンアミニウムC18-カルボキシプロピルベタイン2,2′,5-トリクロロビフェニル標準液

物性

構造計算による物性

XLogP
5.6
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
15
形式電荷
0
複雑度
207

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.34
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section147.6 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

物理化学的性質

融点
44 ℃ · 44℃
沸点
334.36 °C · 334.36°C (rough estimate)
比重(密度)
1.351 · 1.3510 (rough estimate)
屈折率
1.604 · 1.6040 (rough estimate)
貯蔵温度
room temp
水溶解度
0.64 mg/L · 0.64mg/L(25℃)
Henry's Law Constant
2.9 · 2.9×10-1 mol/(m3Pa) at 25℃, Bhangare et al. (2019)
EPAの化学物質情報
2 · 2,2',5-Trichlorobiphenyl (37680-65-2)

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 · 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 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 InformationHazard Traits - Carcinogenicity; Dermatotoxicity; Endocrine Toxicity; Immunotoxicity; Reproductive Toxicity
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)

Exposure Routes

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 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'',5-Trichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

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30 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
CB-18
PCB-18
BZ NO 18
2,5,2'-CB
2,2′,5-PCB
CB 18 (chlorocarbon)
C20001800 PCB No. 18
2,5,2’-trichlorobiphenyl
DTXCID7039383621-394-6PCB No. 182,2',5-TrichlorobiphenyPCB No 18UNII-6LEV53Y3OXBRN 24533472,2',5-trichlorbiphenyl

データベース識別子

CAS
37680-65-2
PubChem CID
37803
DTXSID
DTXSID6073491
ChEMBL
CHEMBL13843
UNII
6LEV53Y3OX
EC Number
621-394-6
Nikkaji
J150.408H
Oral (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

rtecs
DV8820000
ridadr
UN 3432 9/PG 2
毒性
TDLo ipr-rat: 150 mg/kg/3D-I TXAPA9 33,94,75
risk_code
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
N,Xn
safety_code
35-60-61
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