2,2',3,3',4,5,5',6-Octachlorobiphenyl
TL;DR: 2,2',3,3',4,5,5',6-Octachlorobiphenyl (CAS 68194-17-2) 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.
1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzene
Also Known As: 2,2',3,3',4,5,5',6-Octachlorobiphenyl, PCB No. 198, PCB 198, PCB NO 198, 2,2',3,3',4,5,5',6-Octachloro-1,1'-biphenyl
| Molecular Formula | C12H2Cl8 |
|---|---|
| Molecular Weight | 425.77 g/mol |
| LogP | 8.1 |
| 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 | 323.0 |
Chemical Identifiers
| CAS Number | 68194-17-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | PJHBSPRZHUOIAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',3,3',4,5,5',6-Octachlorobiphenyl (CAS 68194-17-2), with molecular formula C12H2Cl8 and molecular weight 425.77 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzene.
Chemical Property Profile of 2,2',3,3',4,5,5',6-Octachlorobiphenyl
Property Insights of 2,2',3,3',4,5,5',6-Octachlorobiphenyl
The XLogP value of 8.1 indicates that 2,2',3,3',4,5,5',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',4,5,5',6-Octachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',4,5,5',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',4,5,5',6-Octachlorobiphenyl?
The CAS number of 2,2',3,3',4,5,5',6-Octachlorobiphenyl is 68194-17-2.
What is the molecular formula of 2,2',3,3',4,5,5',6-Octachlorobiphenyl?
The molecular formula of 2,2',3,3',4,5,5',6-Octachlorobiphenyl is C12H2Cl8.
What is the molecular weight of 2,2',3,3',4,5,5',6-Octachlorobiphenyl?
The molecular weight of 2,2',3,3',4,5,5',6-Octachlorobiphenyl is 425.77 g/mol.
Where can I buy 2,2',3,3',4,5,5',6-Octachlorobiphenyl?
You can request a quote for 2,2',3,3',4,5,5',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',4,5,5',6-Octachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,3',4,5,5',6-Octachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.