2,2',4,4',5,6'-Hexachlorodiphenyl ether
TL;DR: 2,2',4,4',5,6'-Hexachlorodiphenyl ether (CAS 106220-81-9) is a chemical compound with molecular formula C12H4Cl6O and molecular weight 373.83932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-5-(2,4,6-trichlorophenoxy)benzene
Also Known As: PCDE congener 154, PCDEcongener154, 2,2',4,4',5,6'-Hexachlorodiphenyl ether, PCDE 154, 2,2',4,4',5,6'-hexaCDE
Technical Specifications
| Molecular Formula | C12H4Cl6O |
| Molecular Weight | 373.83932 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.8364 Da |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
| SMILES | C1=C(C=C(C(=C1Cl)OC2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | XKQUAQGQLZDDBV-UHFFFAOYSA-N |
Chemical Property Profile of 2,2',4,4',5,6'-Hexachlorodiphenyl ether
Property Insights of 2,2',4,4',5,6'-Hexachlorodiphenyl ether
The XLogP value of 7.2 indicates that 2,2',4,4',5,6'-Hexachlorodiphenyl 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',4,4',5,6'-Hexachlorodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',4,4',5,6'-Hexachlorodiphenyl ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,2',4,4',5,6'-Hexachlorodiphenyl ether?
The CAS number of 2,2',4,4',5,6'-Hexachlorodiphenyl ether is 106220-81-9.
What is the molecular formula of 2,2',4,4',5,6'-Hexachlorodiphenyl ether?
The molecular formula of 2,2',4,4',5,6'-Hexachlorodiphenyl ether is C12H4Cl6O.
What is the molecular weight of 2,2',4,4',5,6'-Hexachlorodiphenyl ether?
The molecular weight of 2,2',4,4',5,6'-Hexachlorodiphenyl ether is 373.83932 g/mol.
Where can I buy 2,2',4,4',5,6'-Hexachlorodiphenyl ether?
You can request a quote for 2,2',4,4',5,6'-Hexachlorodiphenyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2',4,4',5,6'-Hexachlorodiphenyl ether?
Yes, CoreyChem provides custom synthesis services for 2,2',4,4',5,6'-Hexachlorodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.