Basic information
- CAS
31472-83-0- Standard SMILES
Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
JAHJITLFJSDRCG-UHFFFAOYSA-N- Molecular formula
- C12H2Cl8
- Average molar mass
- 429.8 g/mol
- Monoisotopic mass
- 425.766472
Overview
2,2',3,3',4,4',5,6-Octachlorobiphenyl 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
- 2,2',3,3',4,4',5,6-Octachlorobiphenyl
- IUPAC
- 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene
- English name
- tetrachloro(tetrachlorophenyl)benzene
- Molecular formula
- C12H2Cl8
- Molecular weight
- 429.76828
Names & synonyms
2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL2,2',3,3',4,4',5,6-Octachloro-1,1'-biphenylUNII-GBU232J61IGBU232J61I1,1'-Biphenyl, 2,2',3,3',4,4',5,6-octachloro-DTXSID1074171RefChem:53425DTXCID204125052663-78-2PCB 195OCTACHLOROBIPHENYL1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene
Show more names
ar,ar,ar,ar,ar',ar',ar',ar'-Octachloro[1,1'-biphenyl]
PCB No. 19531472-83-01,1'-Biphenyl, octachloro-UNII-R323830CJ5Tetrachloro(tetrachlorophenyl)benzeneSCHEMBL2230317SCHEMBL30301086MSK3793
Database identifiers
- CAS
31472-83-0、52663-78-2、55722-26-4- PubChem CID
- 40485
- DTXSID
DTXSID1074171- UNII
- GBU232J61I
- EC Number
- 250-646-4、690-197-5
- Nikkaji
- J431.716E
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
LogP7.35
Collision Cross Section177.4 Ų [M-Cl+O]-
Physicochemical properties
- Melting point
- 150.67 °C · 150.67°C (estimate)
- Boiling point
- 509.96 °C · 509.96°C (rough estimate)
- Density
- 1.717 · 1.7170 (rough estimate)
- refractive index
- 1.638 · 1.6380 (rough estimate)
- EPA Substance Registry System
- 1 · 1,1'-Biphenyl, ar,ar,ar,ar,ar',ar',ar',ar'-octachloro- (31472-83-0)
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
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 Information
Hazard Traits - Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity
Substance: Tetrachloro(tetrachlorophenyl)benzene
Hazard Classes and CategoriesNot Classified
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)
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 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)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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