2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether
TL;DR: 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether (CAS 83992-76-1) is a chemical compound with molecular formula C12H2Cl8O and molecular weight 441.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrachloro-5-(2,3,5,6-tetrachlorophenoxy)benzene
Also Known As: 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether, Benzene, 1,2,3,4-tetrachloro-5-(2,3,5,6-tetrachlorophenoxy)-, 1,2,3,4-tetrachloro-5-(2,3,5,6-tetrachlorophenoxy)benzene, RefChem:80550
| Molecular Formula | C12H2Cl8O |
|---|---|
| Molecular Weight | 441.76 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 441.76138 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 83992-76-1 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC2=C(C(=CC(=C2Cl)Cl)Cl)Cl |
| InChIKey | MRHQOXCYYPFGEE-UHFFFAOYSA-N |
Product Overview
2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether (CAS 83992-76-1), with molecular formula C12H2Cl8O and molecular weight 441.76 g/mol. IUPAC: 1,2,3,4-tetrachloro-5-(2,3,5,6-tetrachlorophenoxy)benzene.
Chemical Property Profile of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether
Property Insights of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether
The XLogP value of 8.5 indicates that 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether?
The CAS number of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether is 83992-76-1.
What is the molecular formula of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether?
The molecular formula of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether is C12H2Cl8O.
What is the molecular weight of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether?
The molecular weight of 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether is 441.76 g/mol.
Where can I buy 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether?
You can request a quote for 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,3',4,5,5',6'-Octachlorodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.