3,4,4'-Trichlorodiphenyl ether
TL;DR: 3,4,4'-Trichlorodiphenyl ether (CAS 63646-51-5) is a chemical compound with molecular formula C12H7Cl3O and molecular weight 271.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-(4-chlorophenoxy)benzene
Also Known As: 3,4,4'-Trichlorodiphenyl ether, 1,2-dichloro-4-(4-chlorophenoxy)benzene, Benzene, 1,2-dichloro-4-(4-chlorophenoxy)-, 3,4,4 -Trichlorodiphenyl ether, 3,4-Dichlorophenyl 4-chlorophenyl ether
| Molecular Formula | C12H7Cl3O |
|---|---|
| Molecular Weight | 271.96 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.95624 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 63646-51-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=CC(=C(C=C2)Cl)Cl)Cl |
| InChIKey | FTZDEZOARSJHGU-UHFFFAOYSA-N |
Product Overview
3,4,4'-Trichlorodiphenyl ether (CAS 63646-51-5), with molecular formula C12H7Cl3O and molecular weight 271.96 g/mol. IUPAC: 1,2-dichloro-4-(4-chlorophenoxy)benzene.
Chemical Property Profile of 3,4,4'-Trichlorodiphenyl ether
Property Insights of 3,4,4'-Trichlorodiphenyl ether
The XLogP value of 5.5 indicates that 3,4,4'-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, 3,4,4'-Trichlorodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4'-Trichlorodiphenyl ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,4'-Trichlorodiphenyl ether?
The CAS number of 3,4,4'-Trichlorodiphenyl ether is 63646-51-5.
What is the molecular formula of 3,4,4'-Trichlorodiphenyl ether?
The molecular formula of 3,4,4'-Trichlorodiphenyl ether is C12H7Cl3O.
What is the molecular weight of 3,4,4'-Trichlorodiphenyl ether?
The molecular weight of 3,4,4'-Trichlorodiphenyl ether is 271.96 g/mol.
Where can I buy 3,4,4'-Trichlorodiphenyl ether?
You can request a quote for 3,4,4'-Trichlorodiphenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4'-Trichlorodiphenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4'-Trichlorodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.