Octachlorodibenzo-P-dioxin
TL;DR: Octachlorodibenzo-P-dioxin (CAS 3268-87-9) is a chemical compound with molecular formula C12Cl8O2 and molecular weight 455.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin
Also Known As: OCTACHLORODIBENZO-p-DIOXIN, OCDD, Octachlorodibenzodioxin, octachlorooxanthrene, 1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin
| Molecular Formula | C12Cl8O2 |
|---|---|
| Molecular Weight | 455.74 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 459.73474 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
| Melting Point | 330.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 8.25X10-13 mm Hg @ 25 °C |
Chemical Identifiers
| CAS Number | 3268-87-9 |
|---|---|
| SMILES | C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl |
| InChIKey | FOIBFBMSLDGNHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octachlorodibenzo-P-dioxin (CAS 3268-87-9), with molecular formula C12Cl8O2 and molecular weight 455.74 g/mol. IUPAC: 1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin.
Chemical Property Profile of Octachlorodibenzo-P-dioxin
Property Insights of Octachlorodibenzo-P-dioxin
The XLogP value of 8.1 indicates that Octachlorodibenzo-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, Octachlorodibenzo-P-dioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octachlorodibenzo-P-dioxin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octachlorodibenzo-P-dioxin?
The CAS number of Octachlorodibenzo-P-dioxin is 3268-87-9.
What is the molecular formula of Octachlorodibenzo-P-dioxin?
The molecular formula of Octachlorodibenzo-P-dioxin is C12Cl8O2.
What is the molecular weight of Octachlorodibenzo-P-dioxin?
The molecular weight of Octachlorodibenzo-P-dioxin is 455.74 g/mol.
Where can I buy Octachlorodibenzo-P-dioxin?
You can request a quote for Octachlorodibenzo-P-dioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octachlorodibenzo-P-dioxin?
Yes, KEHONG BIO provides custom synthesis services for Octachlorodibenzo-P-dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.