2,3,4',5,6-Pentachlorobiphenyl
TL;DR: 2,3,4',5,6-Pentachlorobiphenyl (CAS 68194-11-6) is a chemical compound with molecular formula C12H5Cl5 and molecular weight 323.8834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4,5-tetrachloro-3-(4-chlorophenyl)benzene
Also Known As: 2,3,4',5,6-Pentachlorobiphenyl, PCB 117, Pcb No. 117, PCB NO 117, 2,3,4',5,6-Pentachloro-1,1'-biphenyl
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H5Cl5 |
| Molecular Weight | 323.8834 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.88043 Da |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
| SMILES | C1=CC(=CC=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | ZDDZPDTVCZLFFC-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,4',5,6-Pentachlorobiphenyl
Property Insights of 2,3,4',5,6-Pentachlorobiphenyl
The XLogP value of 6.5 indicates that 2,3,4',5,6-Pentachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3,4',5,6-Pentachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4',5,6-Pentachlorobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,3,4',5,6-Pentachlorobiphenyl?
The CAS number of 2,3,4',5,6-Pentachlorobiphenyl is 68194-11-6.
What is the molecular formula of 2,3,4',5,6-Pentachlorobiphenyl?
The molecular formula of 2,3,4',5,6-Pentachlorobiphenyl is C12H5Cl5.
What is the molecular weight of 2,3,4',5,6-Pentachlorobiphenyl?
The molecular weight of 2,3,4',5,6-Pentachlorobiphenyl is 323.8834 g/mol.
Where can I buy 2,3,4',5,6-Pentachlorobiphenyl?
You can request a quote for 2,3,4',5,6-Pentachlorobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,4',5,6-Pentachlorobiphenyl?
Yes, CoreyChem provides custom synthesis services for 2,3,4',5,6-Pentachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.