2,2',3,3',4-Pentachlorobiphenyl
TL;DR: 2,2',3,3',4-Pentachlorobiphenyl (CAS 11097-69-1) 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.
1,2,3-trichloro-4-(2,3-dichlorophenyl)benzene
Also Known As: AROCLOR 1254, 2,2',3,3',4-pentachlorobiphenyl, Arochlor 1254, Chlorodiphenyl (54% Cl), PCB 82
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H5Cl5 |
| Molecular Weight | 323.8834 g/mol |
| XLogP | 6.7 |
| 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 | 259.0 |
| Melting Point | 50 °F |
| Boiling Point | Distillation range 365-390 °C |
| Density | 1.495 at 65 °C/4 °C; 1505 at 15.5 °C/4 °C |
| Flash Point | 222 °C |
| Vapor Pressure | 0.000077 [mmHg] |
| Refractive Index | Index of refraction: 1.639-1.641 at 20 °C/D |
| Solubility | Solubility in water varies because Aroclors are variable mixtures. |
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl |
| InChIKey | AUGNBQPSMWGAJE-UHFFFAOYSA-N |
Chemical Property Profile of 2,2',3,3',4-Pentachlorobiphenyl
Property Insights of 2,2',3,3',4-Pentachlorobiphenyl
The XLogP value of 6.7 indicates that 2,2',3,3',4-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, 2,2',3,3',4-Pentachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',4-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 2,2',3,3',4-Pentachlorobiphenyl?
The CAS number of 2,2',3,3',4-Pentachlorobiphenyl is 11097-69-1.
What is the molecular formula of 2,2',3,3',4-Pentachlorobiphenyl?
The molecular formula of 2,2',3,3',4-Pentachlorobiphenyl is C12H5Cl5.
What is the molecular weight of 2,2',3,3',4-Pentachlorobiphenyl?
The molecular weight of 2,2',3,3',4-Pentachlorobiphenyl is 323.8834 g/mol.
Where can I buy 2,2',3,3',4-Pentachlorobiphenyl?
You can request a quote for 2,2',3,3',4-Pentachlorobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2',3,3',4-Pentachlorobiphenyl?
Yes, CoreyChem provides custom synthesis services for 2,2',3,3',4-Pentachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.