2,2',3,3',5,5',6,6'-Octachlorobiphenyl
TL;DR: 2,2',3,3',5,5',6,6'-Octachlorobiphenyl (CAS 2136-99-4) is a chemical compound with molecular formula C12H2Cl8 and molecular weight 425.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene
Also Known As: PCB 202, 2,2',3,3',5,5',6,6'-OCTACHLOROBIPHENYL, Pcb No. 202, 2,2',3,3',5,5',6,6'-Octachloro-1,1'-biphenyl, 2,3,5,6,2',3',5',6'-Octachlorobiphenyl
| Molecular Formula | C12H2Cl8 |
|---|---|
| Molecular Weight | 425.77 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 429.76056 |
| Heavy Atoms | 20 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 2136-99-4 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | JPOPEORRMSDUIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',3,3',5,5',6,6'-Octachlorobiphenyl (CAS 2136-99-4), with molecular formula C12H2Cl8 and molecular weight 425.77 g/mol. IUPAC: 1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene.
Chemical Property Profile of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl
Property Insights of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl
The XLogP value of 7.7 indicates that 2,2',3,3',5,5',6,6'-Octachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2',3,3',5,5',6,6'-Octachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',5,5',6,6'-Octachlorobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl?
The CAS number of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl is 2136-99-4.
What is the molecular formula of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl?
The molecular formula of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl is C12H2Cl8.
What is the molecular weight of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl?
The molecular weight of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl is 425.77 g/mol.
Where can I buy 2,2',3,3',5,5',6,6'-Octachlorobiphenyl?
You can request a quote for 2,2',3,3',5,5',6,6'-Octachlorobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',3,3',5,5',6,6'-Octachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,3',5,5',6,6'-Octachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.