Pcb 105
Basic information
- CAS
32598-14-4- Standard SMILES
Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl- InChIKey
WIDHRBRBACOVOY-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 323.883389
Overview
2,3,4,3',4'-Pentachlorobiphenyl is a dichlorobenzene, a trichlorobenzene and a pentachlorobiphenyl.
Names & identifiers
- Preferred name
- Pcb 105
- IUPAC
- 1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene
- English name
- 2,3,3',4,4'-Pentachlorobiphenyl
- Molecular formula
- C12H5Cl5
- Molecular weight
- 326.43
Names & synonyms
2,3,3',4,4'-Pentachlorobiphenyl32598-14-4PCB 1051,2,3-trichloro-4-(3,4-dichlorophenyl)benzene2,3,4,3',4'-Pentachlorobiphenyl3,4,2',3',4'-PentachlorobiphenylPCB-1052,3,3',4,4'-PENTACHLORO-1,1'-BIPHENYL0S596V3MLHPCB1052,3,3'4,4'-Pentachloro-1,1'-biphenylDTXSID8038306
Show more names
1,1'-Biphenyl, 2,3,3',4,4'-pentachloro-PenCbBZ NO 10523344PNCB23344PECBPCB NO 105C20010500 PCB No. 105Colesevelam Impurity 201,1'-BIPHENYL,2,3,3',4,4'-PEN
RefChem:535482,3,3',4,4'-PCBDTXCID6018306634-808-5PCB No. 105Biphenyl, 2,3,3',4,4'-pentachloro-2',3',4,4',5-PentachlorobiphenylCHEMBL341816
Database identifiers
- CAS
32598-14-4- PubChem CID
- 36188
- DTXSID
DTXSID8038306- ChEMBL
CHEMBL341816- ChEBI
CHEBI:81518- UNII
- 0S596V3MLH
- EC Number
- 634-808-5
- Nikkaji
- J70.043F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
PolymersPolychlorinated biphenyl
LogP6.61
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
161.1 Ų [M-Cl+O]-
160.6 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
157.88 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
Physicochemical properties
- Melting point
- 116 · 116-117℃
- Boiling point
- 412.3 °C · 412.3°C (rough estimate)
- Density
- 1.522 · 1.5220 (rough estimate)
- refractive index
- 1.62 · 1.6200 (rough estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
- 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
Warning
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, 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
Hazard Traits - Bioaccumulation; Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Environmental Persistence; Environmental tox; Hematotoxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Reproductive Toxicity; Respiratory Toxicity
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesAcute Tox. 4 (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)
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'',3'',4,4'',5-Pentachlorobiphenyl is a toxic organic pollutant.
Upstream & downstream products
Downstream products
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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