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2,3,4,3',4'-ペンタクロロ-1,1'-ビフェニル

Pcb 105

HCID 36188
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
32598-14-4
標準SMILES
Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl
InChIKey
WIDHRBRBACOVOY-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

2,3,4,3',4'-Pentachlorobiphenyl is a dichlorobenzene, a trichlorobenzene and a pentachlorobiphenyl.

名称と識別子

優先名称
Pcb 105
IUPAC
1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene
現地名
2,3,4,3',4'-ペンタクロロ-1,1'-ビフェニル
英語名
2,3,3',4,4'-Pentachlorobiphenyl
分子式
C12H5Cl5
分子量
326.43

名称と別名

2,3,3',4,4'-Pentachlorobiphenyl32598-14-4PCB 1051,2,3-trichloro-4-(3,4-dichlorophenyl)benzene2,3,4,3',4'-Pentachlorobiphenyl3,4,2',3',4'-PentachlorobiphenylPCB-1052,3,3',4,4'-PENTACHLORO-1,1'-BIPHENYL0S596V3MLHPCB1052,3,3'4,4'-Pentachloro-1,1'-biphenylDTXSID8038306
名称をさらに表示
2,3,3',4,4'-ペンタクロロ-1,1'-ビフェニル2,3,3',4,4'-ペンタクロロビフェニル2,3,4,3',4'-ペンタクロロ-1,1'-ビフェニルPCB105標準液 CRM4211-APCB #1052,3,3',4,4'-五塩化ビフェニル2,3,3′,4,4′‐ペンタクロロビフェニル標準品2,3,3′,4,4′‐ペンタクロロビフェニル標準液2,3,3',4,4'-PENTACB 100 UG/ML IN ISOOCTANE2,3,3',4,4'-ペンタクロロビフェニル, 100 µg/mL in Isooctane2,3,4,3',4'-ペンタクロロビフェニル2,3,4,3′,4′-ペンタクロロ-1,1′-ビフェニル2,3,3′,4,4′-ペンタクロロビフェニル2,3,3′,4,4′-ペンタクロロ-1,1′-ビフェニル2,3,3′,4,4′-ペンタクロロビフェニル標準液1,1'-Biphenyl, 2,3,3',4,4'-pentachloro-PenCbBZ NO 105

物性

構造計算による物性

XLogP
6.6
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
17
形式電荷
0
複雑度
259

実験および物理化学的性質

PolymersPolychlorinated biphenyl
LogP6.61
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 3 件

161.1 Ų [M-Cl+O]-

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

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

物理化学的性質

融点
116 · 116-117℃
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)
溶解性
Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
外見
Solid
色
White to Off-White
Henry's Law Constant
3 · 3.0×10-2 mol/(m3Pa) at 25℃, Li et al. (2003)
EPAの化学物質情報
2 · 2,3,3',4,4'-Pentachlorobiphenyl (32598-14-4)

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 · 4 件

Warning

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P301+P317, P319, P330, 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 · 2 件

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

Regulation (EC) No 178/2002 (amended)

Hazard Classes and CategoriesAcute Tox. 4 (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)

MeSH Pharmacological ClassificationSubstances or energies, for example heat or light, which when introduced into the air, water, or land threaten life or health of individuals or ECOSYSTEMS.

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'',3'',4,4'',5-Pentachlorobiphenyl 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23 社

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

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
23344PNCB
23344PECB
PCB NO 105
C20010500 PCB No. 105
Colesevelam Impurity 20
1,1'-BIPHENYL,2,3,3',4,4'-PEN
RefChem:535482,3,3',4,4'-PCBDTXCID6018306634-808-5PCB No. 105Biphenyl, 2,3,3',4,4'-pentachloro-2',3',4,4',5-PentachlorobiphenylCHEMBL341816

データベース識別子

CAS
32598-14-4
PubChem CID
36188
DTXSID
DTXSID8038306
ChEMBL
CHEMBL341816
ChEBI
CHEBI:81518
UNII
0S596V3MLH
EC Number
634-808-5
Nikkaji
J70.043F
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

4.90e-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

4.90e+01

2.50e-01

1.10e+00

4.00e-01

5.00e+02

安全データ

rtecs
DV8200000
ridadr
UN 3432 9/PG 2
毒性
LD50 ipr-mus: 400 mg/kg CPBTAL 24,2168,76
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
safety_code
35-60-61
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