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2,3,3',4,4',5-Hexachlorobiphenyl

HCID 38019
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
38380-08-4
Standard SMILES
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl
InChIKey
LCXMEXLGMKFLQO-UHFFFAOYSA-N
Molecular formula
C12H4Cl6
Average molar mass
360.9 g/mol
Monoisotopic mass
357.844416

Overview

2,3,3',4,4',5-Hexachlorobiphenyl is a dichlorobenzene, a tetrachlorobenzene and a hexachlorobiphenyl.

Names & identifiers

Preferred name
2,3,3',4,4',5-Hexachlorobiphenyl
IUPAC
1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
English name
2,3,3',4,4',5-Hexachlorobiphenyl
Molecular formula
C12H4Cl6
Molecular weight
360.88

Names & synonyms

2,3,3',4,4',5-HEXACHLOROBIPHENYL38380-08-4PCB 1563,4,2',3',4',5'-Hexachlorobiphenyl2,3,3',4,4',5-Hexachloro-1,1'-biphenyl2,3,4,5,3',4'-Hexachlorobiphenyl1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzeneDTXSID00527064D6049M2OCRefChem:53604DTXCID9031301620-601-7
Show more names
CB156BZ-156BZ NO 156233445HXCBPCB NO 156PCB No. 156 10Neotame Impurity 4C20015600 PCB No. 156PCB No 156 solution
PCB-1561,1'-Biphenyl, 2,3,3',4,4',5-hexachloro-PCB No. 156CHEMBL136496CB 156BRN 2468827UNII-4D6049M2OCSCHEMBL2279549

Database identifiers

CAS
38380-08-4
PubChem CID
38019
DTXSID
DTXSID0052706
ChEMBL

Properties

Computed structural properties

XLogP
7.6
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

LogP6.75
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 3 items

167.7 Ų [M-Cl+O]-

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

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

Physicochemical properties

Melting point
127 °C · 127°C
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)
Flash point
-23 °C · -23 °C
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
form
Solid
color
White to Off-White

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 · 5 items

This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.

Warning

H373 (92.9%): 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 Information · 3 items

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

Regulation (EC) No 178/2002 (amended)

Substance: 2,3,3',4,4',5-Hexachlorobiphenyl

Hazard Classes and CategoriesSTOT RE 2 (92.9%)

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)

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

Uses3,4,2'',3'',4'',5''-Hexachlorobiphenyl is a toxic organic pollutant.

Upstream & downstream products

Downstream products

2,4,4'-Trichlorobiphenyl

Suppliers28 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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New reaction record

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
CHEMBL136496
ChEBI
CHEBI:81522
UNII
4D6049M2OC
EC Number
620-601-7
Nikkaji
J151.552G
Water Solubility
5.33 ug/L · 5.33ug/L(20 ºC)
Henry's Law Constant
6.8 · 6.8×10-2 mol/(m3Pa) at 25℃, Fang et al. (2006)
FDA UNII
4 D6049M2OC · 4D6049M2OC
EPA Substance Registry System
2 · 2,3,3',4,4',5-Hexachlorobiphenyl (38380-08-4)
Symbol(GHS)
2 · GHS02,GHS07,GHS08,GHS09
Signal word
Danger
Hazard statements
225 · H225-H304-H315-H336-H361f-H373-H411
Precautionary statements
201 · P201-P210-P273-P301+P310-P304+P340+P312-P331
Hazard Codes
F,Xn,N
Risk Statements
11 · 11-38-48/20-51/53-62-65-67-33-50/53
Safety Statements
9 · 9-16-29-33-36/37-61-62-60
RIDADR
1208 · UN 1208 3/PG 2
WGK Germany
2 · 2
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)

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)
RAIS Toxicity Values · 6 items

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 items

1.20e-01

5.00e-01

2.50e-03

1.10e-02

4.00e-03

5.00e+02

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 items

4.10e+00

5.00e+01

2.50e-01

1.10e+00

4.00e-01

5.00e+02

Safety data

wgk
2
ridadr
UN 1208 3/PG 2
risk_code
11-38-48/20-51/53-62-65-67-33-50/53
Signal word
Danger
Symbol(GHS)
GHS02,GHS07,GHS08,GHS09
hazard_code
F,Xn,N
safety_code
9-16-29-33-36/37-61-62-60
Hazard statements
H225-H304-H315-H336-H361f-H373-H411
Precautionary statements
P201-P210-P273-P301+P310-P304+P340+P312-P331
400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
玺标(上海)科技有限公司18512111473 18512111473 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [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]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海百舜生物科技有限公司021-37581181 · [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]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [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]
亚索试剂400-873-6778 18660992876 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]

Additional notes

DefinitionChEBI: 2,3,3',4,4',5-Hexachlorobiphenyl is a dichlorobenzene, a tetrachlorobenzene and a hexachlorobiphenyl.