HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2',3,3',6-Pentachlorobiphenyl
PCB 84 · PCB NO 84 · PCB No. 84 in Cyclohexane · 2,2',3,3',6-Pentachlorobiphenyl · 2,2',3,3',6-Pentachloro-1,1'-biphenyl · 1,1'-Biphenyl, 2,2',3,3',6-pentachloro- · 1,2,4-trichloro-3-(2,3-dichlorophenyl)benzene
Identifiers & Physical Properties
| CAS No. | 52663-60-2 |
|---|---|
| Molecular formula | C12H5Cl5 |
| Average molar mass | 326.4 g/mol |
| Monoisotopic mass | 323.883389 g/mol |
| SMILES | Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl |
| InChIKey | QVWUJLANSDKRAH-UHFFFAOYSA-N |
| PubChem CID | 40468 |
| EC No. | 690-209-9 |
| DTXSID | DTXSID0073536 |
Chemical & Physical Properties
| XLogP | 6 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 259 |
| LogP (partition coefficient) | 6.04 |
| Collision Cross Section | 158.5 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| Melting point | 95.86°C (estimate) |
| Boiling point | 412.3°C (rough estimate) |
| Density | 1.5220 (rough estimate) |
| Refractive index | 1.6200 (rough estimate) |
| Solubility | 47.02ug/L(20 ºC) |
| Henry's law constant | 5.7×10-2 mol/(m3Pa) at 25℃, Murphy et al. (1987) |
| FDA UNII | VIF9S75RZV |
| EPA Substance Registry System | 2,2',3,3',6-Pentachlorobiphenyl (52663-60-2) |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Minimum Risk Level | Intermediate Oral: 0.03 ug/kg/day (L134) |
| 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 | Oral (L4)inhalation (L4)dermal (L4) |
| Toxicity summary | The mechanism of action varies with the specific PCB. Dioxin-like PCBs bind to the aryl hydrocarbon receptor, which disrupts cell function by altering the transcription of genes, mainly be inducing the expression of hepatic Phase I and Phase II enzymes, especially of the cytochrome P450 family. Most of the toxic effects of PCBs are believed to be results of Ah receptor binding. Other PBCs are believed to interfere with calcium channels and/or change brain dopamine levels. PCBs can also cause endocrine disurption by altering the production of thyroid hormones and binding to estrogen receptors, which can stimulate the growth of certain cancer cells and produce other estrogenic effects, such as reproductive dysfunction. They will bioaccumulate by binding to receptor proteins such as uteroglobin. (A3, A4, A30, A66) |
| Signs and Symptoms | Chronic PCB exposure results in symptoms such as abdominal pain, nausea, vomiting, diarrhea, headache, dizziness, depression, nervousness, dermal and ocular lesions, fatigue, irregular menstrual cycles and a lowered immune response. (A3) |
| Carcinogen Classification | 1, carcinogenic to humans. (L135) |
Applications & Uses
Uses
2,2'',3,3'',6-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.