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Pcb 49

HCID 38876
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
41464-40-8
Standard SMILES
Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1
InChIKey
ZWPVHELAQPIZHO-UHFFFAOYSA-N
Molecular formula
C12H6Cl4
Average molar mass
292 g/mol
Monoisotopic mass
289.922361

Overview

2,2',4,5'-Tetrachlorobiphenyl 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)

Names & identifiers

Preferred name
Pcb 49
IUPAC
1,4-dichloro-2-(2,4-dichlorophenyl)benzene
English name
2,2',4,5'-TETRACHLOROBIPHENYL
Molecular formula
C12H6Cl4
Molecular weight
291.99

Names & synonyms

2,2',4,5'-TETRACHLOROBIPHENYL41464-40-8PCB 491,1'-Biphenyl, 2,2',4,5'-tetrachloro-2,2',4,5'-TcbBT5E4PD553DTXSID8073508RefChem:53510DTXCID60399222,4-dichloro-1-(2,5-dichlorophenyl)benzene690-225-62,2',4,5-Tetrachlorodiphenyl
Show more names
CB-49BZNO 49PCB NO 491,1'-BIPHENYL,2,2',4,5'-TEPCB No. 49 in CyclohexaneButylphthalide Impurity 582,4,2’,5’-tetrachlorobiphenyl2,4,2',5'-Tetrachlorobiphenyl
2,2',4,5'-Tetrachloro-1,1'-biphenyl1,4-dichloro-2-(2,4-dichlorophenyl)benzenePCB No. 49UNII-BT5E4PD5532,2',4,5'-TetracbSCHEMBL1274816SCHEMBL1274817SCHEMBL4446831

Database identifiers

CAS
41464-40-8
PubChem CID
38876
DTXSID
DTXSID8073508
UNII
BT5E4PD553

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
233

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.87
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section155 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

Physicochemical properties

Melting point
66.5 °C · 66.5°C
Boiling point
374.95 °C · 374.95°C (rough estimate)
Density
1.442 · 1.4420 (rough estimate)
refractive index
1.612 · 1.6120 (rough estimate)
Water Solubility
78.14 ug/L · 78.14ug/L(20 ºC)
Henry's Law Constant
2.7 · 2.7×10-2 mol/(m3Pa) at 25℃, Bamford et al. (2002)
CAS DataBase Reference
41464 · 41464-40-8

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationHazard Traits - Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity
Hazard Classes and CategoriesNot Classified

Safety & protection

Minimum Risk LevelIntermediate Oral: 0.03 ug/kg/day (L134)

Toxicology

Treatment · 1 item

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 item

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)

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

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)

Uses & manufacturing

Uses · 1 item

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)

Applications

Uses2,2'',4,5-Tetrachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Suppliers14 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EC Number
690-225-6
Nikkaji
J150.411H
FDA UNII
5 E4PD553 · BT5E4PD553
EPA Substance Registry System
2 · 2,2',4,5'-Tetrachlorobiphenyl (41464-40-8)
Exposure Routes
Oral (L4) ; inhalation (L4) ; dermal (L4)
Toxicity Summary · 1 item

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)
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [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]
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]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]