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2,5-Dichlorobiphenyl

HCID 36980
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
34883-39-1
Standard SMILES
Clc1ccc(Cl)c(-c2ccccc2)c1
InChIKey
KKQWHYGECTYFIA-UHFFFAOYSA-N
Molecular formula
C12H8Cl2
Average molar mass
223.09 g/mol
Monoisotopic mass
222.0003056

Overview

2,5-dichlorobiphenyl is a dichlorobiphenyl that is p-dichlorobenzene in which one of the hydrogens has been replaced by a phenyl group. It is a dichlorobenzene and a dichlorobiphenyl.

Names & identifiers

Preferred name
2,5-Dichlorobiphenyl
IUPAC
1,4-dichloro-2-phenylbenzene
English name
2,5-Dichlorobiphenyl
Molecular formula
C12H8Cl2
Molecular weight
223.1

Names & synonyms

2,5-DICHLOROBIPHENYL34883-39-12,5-Dichloro-1,1'-biphenyl1,1'-Biphenyl, 2,5-dichloro-1,4-dichloro-2-phenylbenzenePCB 93,6-DichlorobiphenylDTXSID707348035R7J07E3D2,5-DiCBCHEBI:34246RefChem:53584
Show more names
BZNO 92,5-PCBPCB NO 9BALLSCHMITER NO 9Farnesane Impurity 13
DTXCID0038918690-131-5PCB No. 9UNII-35R7J07E3DBiphenyl, 2,5-dichloro-SCHEMBL534233SCHEMBL2750535SCHEMBL2934398

Database identifiers

CAS
34883-39-1
PubChem CID
36980
DTXSID
DTXSID7073480
ChEMBL
CHEMBL1797264
ChEBI
CHEBI:34246
UNII
35R7J07E3D
EC Number
690-131-5
Nikkaji
J88.974A

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
175

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.1

Physicochemical properties

Melting point
22.5 °C · 22.5°C
Boiling point
289.78 °C · 289.78°C (rough estimate)
Density
1.249 · 1.2490 (rough estimate)
refractive index
1.594 · 1.5940 (rough estimate)
Water Solubility
1.116 mg/L · 1.116mg/L(25 ºC)
Henry's Law Constant
2.3 · 2.3×10-2 mol/(m3Pa) at 25℃, Hulscher (1992)
FDA UNII
35 R7J07E3D · 35R7J07E3D
EPA Substance Registry System
2 · 2,5-Dichlorobiphenyl (34883-39-1)
Symbol(GHS)
8 · GHS08,GHS09
Signal word
Warning
Hazard statements

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 7.3% (3 of 41) of reports.

Warning

H373 (92.7%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSTOT RE 2 (92.7%)

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)

Exposure Routes

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

Uses2,5-Dichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Upstream & downstream products

Downstream products

3,4-DichlorobiphenylBiphenyl

Suppliers13 total

盐城通铭生物科技有限公司15195160625 · [email protected]

Related reactions

4 records
New reaction record
HRID 399889 reaction equation
HRID 399889As reactantuspto-grants-1998_10
HRID 400263 reaction equation
HRID 400263As reactantuspto-grants-1998_10
HRID 1379175 reaction equation
HRID 1379175As reactantuspto-grants-1997_09
HRID 1741221 reaction equation
HRID 1741221As reactantuspto-grants-1999_10

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
410 · H410-H373
Precautionary statements
273 · P273-P391-P501-P260-P314-P501
Hazard Codes
N
Risk Statements
33 · 33-50/53
Safety Statements
35 · 35-60-61
RIDADR
2315 · 2315
HazardClass
9 · 9
PackingGroup
II
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)

Safety data

ridadr
2315
risk_code
33-50/53
Signal word
Warning
Symbol(GHS)
GHS08,GHS09
hazard_code
N
safety_code
35-60-61
hazard_class
9
packing_group
II
Hazard statements
H410-H373
Precautionary statements
P273-P391-P501-P260-P314-P501
广东元丰化学试剂有限公司
0751-2829979 13318593351 · [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
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [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]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]

Additional notes

DefinitionChEBI: A dichlorobiphenyl that is p-dichlorobenzene in which one of the hydrogens has been replaced by a phenyl group.