1,2,3,4,6-Pentachlorodibenzo-p-dioxin
TL;DR: 1,2,3,4,6-Pentachlorodibenzo-p-dioxin (CAS 67028-19-7) is a chemical compound with molecular formula C12H3Cl5O2 and molecular weight 353.85757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,6-pentachlorodibenzo-p-dioxin
Also Known As: PeCDDs, 1,2,3,4,6-Pentachlorodibenzo-p-dioxin, PCDD 49, Pentachlorodibenzo-p-dioxins, PENTACHLORODIBENZO-P-DIOXIN
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H3Cl5O2 |
| Molecular Weight | 353.85757 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 355.8546 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| Vapor Pressure | 5.60X10-10 mm Hg @ 25 °C |
| Solubility | In water, 1.20X10-4 mg/l @ 20 °C |
| SMILES | C1=CC2=C(C(=C1)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl |
| InChIKey | LNWDBNKKBLRAMH-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin
Property Insights of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin
The XLogP value of 6.3 indicates that 1,2,3,4,6-Pentachlorodibenzo-p-dioxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2,3,4,6-Pentachlorodibenzo-p-dioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,6-Pentachlorodibenzo-p-dioxin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin?
The CAS number of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin is 67028-19-7.
What is the molecular formula of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin?
The molecular formula of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin is C12H3Cl5O2.
What is the molecular weight of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin?
The molecular weight of 1,2,3,4,6-Pentachlorodibenzo-p-dioxin is 353.85757 g/mol.
Where can I buy 1,2,3,4,6-Pentachlorodibenzo-p-dioxin?
You can request a quote for 1,2,3,4,6-Pentachlorodibenzo-p-dioxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,4,6-Pentachlorodibenzo-p-dioxin?
Yes, CoreyChem provides custom synthesis services for 1,2,3,4,6-Pentachlorodibenzo-p-dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.