2,4,4'-Trichlorodiphenyl ether
TL;DR: 2,4,4'-Trichlorodiphenyl ether (CAS 59039-21-3) is a chemical compound with molecular formula C12H7Cl3O and molecular weight 271.95624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-1-(4-chlorophenoxy)benzene
Also Known As: 2,4,4'-trichlorodiphenyl ether, 2,4-Dichloro-1-(4-chlorophenoxy)benzene, trichlorodiphenyl ether, Trichlorodiphenyl oxide, PCDE 28
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H7Cl3O |
| Molecular Weight | 271.95624 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.95624 Da |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)Cl)Cl |
| InChIKey | PIORTDHJOLELKR-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,4'-Trichlorodiphenyl ether
Property Insights of 2,4,4'-Trichlorodiphenyl ether
The XLogP value of 5.1 indicates that 2,4,4'-Trichlorodiphenyl 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, 2,4,4'-Trichlorodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4'-Trichlorodiphenyl 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 2,4,4'-Trichlorodiphenyl ether?
The CAS number of 2,4,4'-Trichlorodiphenyl ether is 59039-21-3.
What is the molecular formula of 2,4,4'-Trichlorodiphenyl ether?
The molecular formula of 2,4,4'-Trichlorodiphenyl ether is C12H7Cl3O.
What is the molecular weight of 2,4,4'-Trichlorodiphenyl ether?
The molecular weight of 2,4,4'-Trichlorodiphenyl ether is 271.95624 g/mol.
Where can I buy 2,4,4'-Trichlorodiphenyl ether?
You can request a quote for 2,4,4'-Trichlorodiphenyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,4'-Trichlorodiphenyl ether?
Yes, CoreyChem provides custom synthesis services for 2,4,4'-Trichlorodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.