Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-
TL;DR: Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- (CAS 71585-37-0) is a chemical compound with molecular formula C12H5Cl5O and molecular weight 339.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-4-(2,4-dichlorophenoxy)benzene
Also Known As: pentachlorodiphenyl ether, PCDE 85, 2,2',3,4,4'-Pentachlorodiphenyl ether, Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-, 2,2',3,4,4'-Pentachlorodiphenylether
| Molecular Formula | C12H5Cl5O |
|---|---|
| Molecular Weight | 339.88 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.87537 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 71585-37-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C=C2)Cl)Cl)Cl |
| InChIKey | RSBUDFTVQYJNHK-UHFFFAOYSA-N |
Product Overview
Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- (CAS 71585-37-0), with molecular formula C12H5Cl5O and molecular weight 339.88 g/mol. IUPAC: 1,2,3-trichloro-4-(2,4-dichlorophenoxy)benzene.
Chemical Property Profile of Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-
Property Insights of Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-
The XLogP value of 6.6 indicates that Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- 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 Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-?
The CAS number of Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- is 71585-37-0.
What is the molecular formula of Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-?
The molecular formula of Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- is C12H5Cl5O.
What is the molecular weight of Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-?
The molecular weight of Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- is 339.88 g/mol.
Where can I buy Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-?
You can request a quote for Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.