3,4,4',5-Tetrachlorobiphenyl
TL;DR: 3,4,4',5-Tetrachlorobiphenyl (CAS 70362-50-4) is a chemical compound with molecular formula C12H6Cl4 and molecular weight 289.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-5-(4-chlorophenyl)benzene
Also Known As: 3,4,4',5-TETRACHLOROBIPHENYL, Hydroxy-Y base, PCB 81, PCB No. 81, 3,4,4',5-Tetrachloro-1,1'-biphenyl
| Molecular Formula | C12H6Cl4 |
|---|---|
| Molecular Weight | 289.92 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.9194 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 70362-50-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl |
| InChIKey | BHWVLZJTVIYLIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,4',5-Tetrachlorobiphenyl (CAS 70362-50-4), with molecular formula C12H6Cl4 and molecular weight 289.92 g/mol. IUPAC: 1,2,3-trichloro-5-(4-chlorophenyl)benzene.
Chemical Property Profile of 3,4,4',5-Tetrachlorobiphenyl
Property Insights of 3,4,4',5-Tetrachlorobiphenyl
The XLogP value of 6.6 indicates that 3,4,4',5-Tetrachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4,4',5-Tetrachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4',5-Tetrachlorobiphenyl 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 3,4,4',5-Tetrachlorobiphenyl?
The CAS number of 3,4,4',5-Tetrachlorobiphenyl is 70362-50-4.
What is the molecular formula of 3,4,4',5-Tetrachlorobiphenyl?
The molecular formula of 3,4,4',5-Tetrachlorobiphenyl is C12H6Cl4.
What is the molecular weight of 3,4,4',5-Tetrachlorobiphenyl?
The molecular weight of 3,4,4',5-Tetrachlorobiphenyl is 289.92 g/mol.
Where can I buy 3,4,4',5-Tetrachlorobiphenyl?
You can request a quote for 3,4,4',5-Tetrachlorobiphenyl 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',5-Tetrachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4',5-Tetrachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.