Pcb 180
Basic information
- CAS
35065-29-3- Standard SMILES
Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl- InChIKey
WBHQEUPUMONIKF-UHFFFAOYSA-N- Molecular formula
- C12H3Cl7
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 391.805444
Overview
PCB180 is a polychlorobiphenyl.
Names & identifiers
- Preferred name
- Pcb 180
- IUPAC
- 1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene
- English name
- 2,2',3,4,4',5,5'-Heptachlorobiphenyl
- Molecular formula
- C12H3Cl7
- Molecular weight
- 395.32
Names & synonyms
35065-29-32,2',3,4,4',5,5'-HEPTACHLOROBIPHENYLPCB 1801,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene2,2',3,4,4',5,5'-Heptachloro-1,1'-biphenyl52I0CG8IQXDTXSID6038299RefChem:53471DTXCID4018299621-378-9PCB1801,1'-Biphenyl, 2,2',3,4,4',5,5'-heptachloro-
Show more names
K 180CB-180NO 180BZ-180BZ NO 180PCB180 in OctaneBALLSCHMITER NO 180PCB180 in Isooctane
PCB No. 180PCB-180UNII-52I0CG8IQXPCB No 180CHEMBL375479SCHEMBL4452334SCHEMBL29366112MSK3778
Database identifiers
- CAS
35065-29-3- PubChem CID
- 37036
- DTXSID
DTXSID6038299- ChEMBL
CHEMBL375479- ChEBI
CHEBI:165220- UNII
- 52I0CG8IQX
- EC Number
- 621-378-9
- Nikkaji
- J126.407I
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
PolymersPolychlorinated biphenyl
LogP7.15
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
168.12 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
172.6 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Physicochemical properties
- Melting point
- 114 ℃ · 114℃
- Boiling point
- 479.43 °C · 479.43°C (rough estimate)
- Density
- 1.64 g/cm3 · 1.64 g/cm3 (65℃)
- refractive index
- 1.633 · 1.6330 (rough estimate)
- Flash point
- -12 °C · -12 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone (Slightly), Acetonitrile (Slightly), Chloroform (Slightly)
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 1.9% (1 of 54) of reports.
Warning
H373 (98.1%): 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 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity
Substance: 2,2',3,4,4',5,5'-heptachlorobiphenyl
Hazard Classes and CategoriesSTOT RE 2 (98.1%)
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
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)
MeSH Pharmacological ClassificationSubstances or energies, for example heat or light, which when introduced into the air, water, or land threaten life or health of individuals or ECOSYSTEMS.
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)
Applications
Uses2,2',3,4,4',5,5'-Heptachlorobiphenyl is a polychlorinated biphenyl (PCB) found in air, soil, mammals, and marine animals.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…