2,2',4,5,5'-Pentachlorodiphenyl ether
TL;DR: 2,2',4,5,5'-Pentachlorodiphenyl ether (CAS 131138-21-1) 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.
1,2,4-trichloro-5-(2,5-dichlorophenoxy)benzene
Also Known As: 2,2',4,5,5'-Pentachlorodiphenyl ether, PCDE 101, 1,2,4-trichloro-5-(2,5-dichlorophenoxy)benzene, 2,2 ,4,5,5 -Pentachlorodiphenyl ether, BENZENE,1,2,4-TRICHLORO-5-(2,5-DICHLOROPHENOXY)-
Technical Specifications
| Molecular Formula | C12H5Cl5O |
| Molecular Weight | 339.8783 g/mol |
| XLogP | 6.8 |
| 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 | 277.0 |
| SMILES | C1=CC(=C(C=C1Cl)OC2=CC(=C(C=C2Cl)Cl)Cl)Cl |
| InChIKey | MKIAKZAWONVRFF-UHFFFAOYSA-N |
Chemical Property Profile of 2,2',4,5,5'-Pentachlorodiphenyl ether
Property Insights of 2,2',4,5,5'-Pentachlorodiphenyl ether
The XLogP value of 6.8 indicates that 2,2',4,5,5'-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',4,5,5'-Pentachlorodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',4,5,5'-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',4,5,5'-Pentachlorodiphenyl ether?
The CAS number of 2,2',4,5,5'-Pentachlorodiphenyl ether is 131138-21-1.
What is the molecular formula of 2,2',4,5,5'-Pentachlorodiphenyl ether?
The molecular formula of 2,2',4,5,5'-Pentachlorodiphenyl ether is C12H5Cl5O.
What is the molecular weight of 2,2',4,5,5'-Pentachlorodiphenyl ether?
The molecular weight of 2,2',4,5,5'-Pentachlorodiphenyl ether is 339.8783 g/mol.
Where can I buy 2,2',4,5,5'-Pentachlorodiphenyl ether?
You can request a quote for 2,2',4,5,5'-Pentachlorodiphenyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2',4,5,5'-Pentachlorodiphenyl ether?
Yes, CoreyChem provides custom synthesis services for 2,2',4,5,5'-Pentachlorodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.