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2,4,5,3',4'-ペンタクロロ-1,1'-ビフェニル

2,3',4,4',5-Pentachlorobiphenyl

HCID 35823
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
31508-00-6
標準SMILES
Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIKey
IUTPYMGCWINGEY-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',4,4',5-Pentachlorobiphenyl is a dichlorobenzene, a trichlorobenzene and a pentachlorobiphenyl.

名称と識別子

優先名称
2,3',4,4',5-Pentachlorobiphenyl
IUPAC
1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene
現地名
2,4,5,3',4'-ペンタクロロ-1,1'-ビフェニル
英語名
2,3',4,4',5-Pentachlorobiphenyl
分子式
C12H5Cl5
分子量
326.43

名称と別名

31508-00-62,3',4,4',5-PENTACHLOROBIPHENYLPCB 1181,1'-Biphenyl, 2,3',4,4',5-pentachloro-2,3',4,4',5-Pentachloro-1,1'-biphenyl3,4,2',4',5'-PentachlorobiphenylPCB-1181,2,4-trichloro-5-(3,4-dichlorophenyl)benzene2B2AQE8U502,4,5,3',4'-PentachlorobiphenylDTXSID4032116RefChem:53556
名称をさらに表示
2,4,5,3',4'-ペンタクロロビフェニル2,3',4,4',5-ペンタクロロビフェニル2',3,4,4',5'-ペンタクロロビフェニル2,3',4,4',5-ペンタクロロ-1,1'-ビフェニル2,4,5,3',4'-ペンタクロロ-1,1'-ビフェニルPCB #1182,3',4,4',5-五塩化ビフェニル2,3′,4,4′,5‐ペンタクロロビフェニル標準品2,3′,4,4′,5‐ペンタクロロビフェニル標準液2,3',4,4',5-PENTACB (PCB-118) (13C12, 99%) 40+/-2 UG/ML IN NONANE2,3',4,4',5-PENTACB (UNLABELED 35 UG/ML IN ISOOCTANE)2,3',4,4',5-PENTACB 100 UG/ML IN ISOOCTANE2,3',4,4',5-ペンタクロロビフェニル, 100 µg/mL in Isooctane2,4,5,3′,4′-ペンタクロロビフェニル2,4,5,3′,4′-ペンタクロロ-1,1′-ビフェニル

物性

構造計算による物性

XLogP
7.1
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
LogP6.49
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2 件

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

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

物理化学的性質

融点
107 °C · 107°C
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)
貯蔵温度
room temp
溶解性
Chloroform (Slightly), Hexanes (Slightly)
外見
Solid
色
White to Off-White
水溶解度
13.44 ug/L · 13.44ug/L(20℃)
Henry's Law Constant
3.1 · 3.1×10-2 mol/(m3Pa) at 25℃, Li et al. (2003)
EPAの化学物質情報

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 38 reports by companies from 1 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; Immunotoxicity; Reproductive Toxicity; Respiratory Toxicity

Regulation (EC) No 178/2002 (amended)

Substance: 2,3',4,4',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 · 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)

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31 社

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]

関連反応

1 件
反応記録を作成
HRID 1885512 の反応式
HRID 1885512生成物としてuspto-grants-1992_09

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′,4,4′,5-ペンタクロロビフェニル
2,3′,4,4′,5-ペンタクロロ-1,1′-ビフェニル
2′,3,4,4′,5′-ペンタクロロビフェニル
2,3′,4,4′,5-ペンタクロロビフェニル標準液
CB-118
BZ-118
PBDE-118
BZ NO 118
PCB NO 118
PCBCONGENER118
C20011800 PCB No. 118
PCB No. 118 in Cyclohexane
1,1'-BIPHENYL,2,3',4,4',5-PEN
DTXCID2012116621-375-2PCB118PenCbBiphenyl, 2,3',4,4',5-pentachloro-PCB No. 118CHEMBL137264CDE-99;PCB No 118

データベース識別子

CAS
31508-00-6
PubChem CID
35823
DTXSID
DTXSID4032116
ChEMBL
CHEMBL137264
ChEBI
CHEBI:81520
UNII
2B2AQE8U50
EC Number
621-375-2
Nikkaji
J126.396J
2 · 2,3',4,4',5-Pentachlorobiphenyl (31508-00-6)
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 Classification · 6 件

TEF evaluation (PCB 118)

TR-559: Toxicology and Carcinogenesis Studies of TEF evaluation (PCB 118) (CASRN 31508-00-6) in Harlan Sprague-Dawley Rats (Gavage Studies) (2010 )

02/25/09

Clear Evidence

Under the conditions of this 2-year gavage study, there was clear evidence of carcinogenic activity of PCB 118 in female Harlan Sprague-Dawley rats based on increased incidences of neoplasms of the liver (cholangiocarcinoma, hepatocholangioma, and hepatocellular adenoma) and cystic keratinizing epithelioma of the lung. Occurrences of carcinoma in the uterus were considered to be related to the administration of PCB 118. Occurrences of squamous cell carcinoma of the uterus and acinar neoplasms of the pancreas may have been related to administration of PCB 118.

1, 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
TQ1350000
ridadr
UN 3432 9/PG 2
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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Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
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