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Pcb 149

HCID 38016
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
38380-04-0
Standard SMILES
Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl
InChIKey
LKHLFUVHHXCNJH-UHFFFAOYSA-N
Molecular formula
C12H4Cl6
Average molar mass
360.9 g/mol
Monoisotopic mass
357.844416

Overview

2,2',3,4',5',6-Hexachlorobiphenyl 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 149
IUPAC
1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene
English name
2,2',3,4',5',6-HEXACHLOROBIPHENYL
Molecular formula
C12H4Cl6
Molecular weight
360.88

Names & synonyms

38380-04-02,2',3,4',5',6-HEXACHLOROBIPHENYLPCB 1492,2',3,4',5',6-Hexachloro-1,1'-biphenyl5JNS37UVGICB149DTXSID1073498RefChem:53452DTXCID00394851,2,4-trichloro-5-(2,3,6-trichlorophenyl)benzene634-834-7PCB-149
Show more names
BZNO 1492,2′,3,4′,5′,6-PCBC20014900 PCB No. 149PCB No. 149 in Cyclohexane1,1'-BIPHENYL,2,2',3,4',5',6-2,3,6,2',4',5'-Hexachlorobiphenyl
1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzenePCB No. 149PCB1491,1'-Biphenyl, 2,2',3,4',5',6-hexachloro-2,4,5,2',3',6'-HexachlorobiphenylPCB No 149UNII-5JNS37UVGICB 149

Database identifiers

CAS
38380-04-0
PubChem CID
38016
DTXSID
DTXSID1073498
UNII
5JNS37UVGI
EC Number
634-834-7
Nikkaji
J126.402H

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
286

Experimental & physicochemical properties

PolymersPolychlorinated biphenyl
LogP6.46
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section165.4 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

Physicochemical properties

Melting point
115.76 °C · 115.76°C (estimate)
Boiling point
446.99 °C · 446.99°C (rough estimate)
Density
1.594 · 1.5940 (rough estimate)
refractive index
1.627 · 1.6270 (rough estimate)
Henry's Law Constant
1.5 · 1.5×10-2 mol/(m3Pa) at 25℃, Bamford et al. (2002)
FDA UNII
5 JNS37UVGI · 5JNS37UVGI
EPA Substance Registry System
2 · 2,2',3,4',5',6-Hexachlorobiphenyl (38380-04-0)

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 · 4 items

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.

Hazard information

Regulatory InformationHazard Traits - Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity
Hazard Classes and CategoriesSTOT RE 2 (100%)

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

Uses2,4,5,2'',3'',6''-Hexachlorobiphenyl is a toxic and persistent organic pollutant.

Upstream & downstream products

Downstream products

2,4,4'-TRICHLOROBIPHENYL

Suppliers15 total

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

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Symbol(GHS)
8 · GHS08,GHS09
Signal word
Warning
Hazard statements
373 · H373-H410
Precautionary statements
260 · P260-P273-P314-P391-P501
Hazard Codes
N
Risk Statements
33 · 33-50/53
Safety Statements
35 · 35-60-61
RIDADR
3432 · UN 3432 9/PG 2
RTECS
5343500 · DV5343500
Exposure RoutesOral (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)

Safety data

rtecs
DV5343500
ridadr
UN 3432 9/PG 2
risk_code
33-50/53
Signal word
Warning
Symbol(GHS)
GHS08,GHS09
hazard_code
N
safety_code
35-60-61
Hazard statements
H373-H410
Precautionary statements
P260-P273-P314-P391-P501
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]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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]
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]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]