2,2',4,4',6-Pentachlorodiphenyl ether
TL;DR: 2,2',4,4',6-Pentachlorodiphenyl ether (CAS 104294-16-8) is a chemical compound with molecular formula C12H5Cl5O and molecular weight 339.8783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5-trichloro-2-(2,4-dichlorophenoxy)benzene
Also Known As: CDE1, 2,2',4,4',6-Pentachlorodiphenyl ether, PCDE 100, 1,3,5-trichloro-2-(2,4-dichlorophenoxy)benzene, 2,2',4,4',6-pentachlorobiphenyl ether
Technical Specifications
| Molecular Formula | C12H5Cl5O |
| Molecular Weight | 339.8783 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.87537 Da |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC2=C(C=C(C=C2Cl)Cl)Cl |
| InChIKey | FONWDRSQXQZNBN-UHFFFAOYSA-N |
Chemical Property Profile of 2,2',4,4',6-Pentachlorodiphenyl ether
Property Insights of 2,2',4,4',6-Pentachlorodiphenyl ether
The XLogP value of 6.6 indicates that 2,2',4,4',6-Pentachlorodiphenyl 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',6-Pentachlorodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',4,4',6-Pentachlorodiphenyl 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',6-Pentachlorodiphenyl ether?
The CAS number of 2,2',4,4',6-Pentachlorodiphenyl ether is 104294-16-8.
What is the molecular formula of 2,2',4,4',6-Pentachlorodiphenyl ether?
The molecular formula of 2,2',4,4',6-Pentachlorodiphenyl ether is C12H5Cl5O.
What is the molecular weight of 2,2',4,4',6-Pentachlorodiphenyl ether?
The molecular weight of 2,2',4,4',6-Pentachlorodiphenyl ether is 339.8783 g/mol.
Where can I buy 2,2',4,4',6-Pentachlorodiphenyl ether?
You can request a quote for 2,2',4,4',6-Pentachlorodiphenyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2',4,4',6-Pentachlorodiphenyl ether?
Yes, CoreyChem provides custom synthesis services for 2,2',4,4',6-Pentachlorodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.