Basic information
- CAS
37680-73-2- Standard SMILES
Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1- InChIKey
LAHWLEDBADHJGA-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 323.883389
Overview
1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene is a polychlorobiphenyl.
Names & identifiers
- Preferred name
- Pcb 101
- IUPAC
- 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
- English name
- 2,2',4,5,5'-PENTACHLOROBIPHENYL
- Molecular formula
- C12H5Cl5
- Molecular weight
- 326.43
Names & synonyms
37680-73-22,2',4,5,5'-PENTACHLOROBIPHENYLPCB 1011,2,4-trichloro-5-(2,5-dichlorophenyl)benzene2,4,5,2',5'-Pentachlorobiphenyl803YVI5BNPPCB101DTXSID8038304RefChem:53522DTXCID6018304621-393-01,1'-Biphenyl, 2,2',4,5,5'-pentachloro-
Show more names
NO 101PCB101/84BZ NO 101PCB No. 101 102,2',4,5,5'-PCBPCB101 in OctaneBALLSCHMITER NO 101C20010100 PCB No. 101
2,2',4,5,5'-Pentachloro-1,1'-biphenylPCB No. 101CB 101; PCB 101K 101UNII-803YVI5BNPPCB No 101PCB-1012,2',4,5,5'Pentachlorobiphenyl
Database identifiers
- CAS
37680-73-2- PubChem CID
- 37807
- DTXSID
DTXSID8038304- ChEMBL
CHEMBL14041- ChEBI
CHEBI:233349
Properties
Computed structural properties
- XLogP
- 6.5
- 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
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.3
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
161.3 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
157.62 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
Physicochemical properties
- Melting point
- 78 ℃ · 78℃
- 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)
- Flash point
- 4 °C · 4 °C
- storage temp.
- 2 · 2-8°C
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
H373 (100%): 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 39 reports by companies from 2 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',4,5,5'-pentachlorobiphenyl
Hazard Classes and CategoriesSTOT RE 2 (100%)
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
2,2',4,5,5'-pentachlorobiphenyl has known human metabolites that include 2,2',4',5,5'-pentachloro-[1,1'-biphenyl]-4-ol.
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)
Applications
Uses2,2',4,5,5'-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) found in air, soil, mammals, and marine animals.
Upstream & downstream products
Downstream products
Suppliers35 total
阿诺西（上海）生物技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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