Basic information
- CAS
2050-67-1- Standard SMILES
Clc1cccc(-c2cccc(Cl)c2)c1- InChIKey
KTXUOWUHFLBZPW-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2
- Average molar mass
- 223.09 g/mol
- Monoisotopic mass
- 222.00030562
Overview
3,3'-Dichlorobiphenyl 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
- 3,3'-Dichlorobiphenyl
- IUPAC
- 1-chloro-3-(3-chlorophenyl)benzene
- English name
- 3,3'-DICHLOROBIPHENYL
- Molecular formula
- C12H8Cl2
- Molecular weight
- 223.1
Names & synonyms
3,3'-DICHLOROBIPHENYL2050-67-11,1'-Biphenyl, 3,3'-dichloro-3,3'-Dichloro-1,1'-biphenylm,m'-Dichlorobiphenyl1-chloro-3-(3-chlorophenyl)benzenePCB 1162U12S7CJZDTXSID70872817PCB-11 cpdRefChem:53574DTXCID60339
Show more names
3,3-PCBBZ NO 113,3'-DCBPCB NO 11-dichlorobiphenylC20001100 PCB No. 113,3'-Dichlorodiphenyl
621-287-4Clophen A 30Clophen A30Biphenyl, 3,3'-dichloro-55600-34-5PCB No. 11Clophen A-30CCRIS 5871
Database identifiers
- CAS
2050-67-1、55600-34-5- PubChem CID
- 16307
- DTXSID
DTXSID70872817- UNII
- 62U12S7CJZ
- EC Number
- 621-287-4
- Nikkaji
- J7.867K
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
- 161
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.27
Physicochemical properties
- Melting point
- 29 ℃ · 29℃
- 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
- 354.7 ug/L · 354.7ug/L(25 ºC)
- Henry's Law Constant
- 4.2 · 4.2×10-2 mol/(m3Pa) at 25℃, Dunnivant et al. (1988)
- FDA UNII
- 62 U12S7CJZ · 62U12S7CJZ
- EPA Substance Registry System
- 3 · 3,3'-Dichlorobiphenyl (2050-67-1)
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Warning
- Hazard statements
Safety & regulation
GHS classification
GHS Classification
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 InformationSubstance: 3,3'-dichlorobiphenyl
Hazard Classes and CategoriesSTOT RE 2 (92.9%)
Safety & protection
Minimum Risk LevelIntermediate Oral: 0.03 ug/kg/day (L134)
Toxicology
Treatment
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
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
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
PCBs were 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
Uses3,3''-Dichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.
Upstream & downstream products
Downstream products
Suppliers1 total
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
2 records
Compound notes
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