3-Chlorobiphenyl
TL;DR: 3-Chlorobiphenyl (CAS 2051-61-8) is a chemical compound with molecular formula C12H9Cl and molecular weight 188.03928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-phenylbenzene
Also Known As: 3-CHLOROBIPHENYL, m-Chlorobiphenyl, 3-Chlorodiphenyl, 3-Chloro-1,1'-biphenyl, 3-Monochlorobiphenyl
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9Cl |
| Molecular Weight | 188.03928 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.03928 Da |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
| Melting Point | 1 °C |
| Boiling Point | 527 to 608 °F at 760 mmHg (NTP, 1992) |
| Density | 1.4 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 286 °F (NTP, 1992) |
| Vapor Pressure | Average vapor pressure of most volatile components: 6.7X10-3 mm Hg, 25 °C |
| Refractive Index | Index of refraction = 1.617-1.618 at 20 °C |
| Solubility | Miscible in non-polar organic solvents. |
| SMILES | C1=CC=C(C=C1)C2=CC(=CC=C2)Cl |
| InChIKey | NMWSKOLWZZWHPL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chlorobiphenyl
Property Insights of 3-Chlorobiphenyl
The XLogP value of 4.6 indicates that 3-Chlorobiphenyl 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-Chlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chlorobiphenyl?
The CAS number of 3-Chlorobiphenyl is 2051-61-8.
What is the molecular formula of 3-Chlorobiphenyl?
The molecular formula of 3-Chlorobiphenyl is C12H9Cl.
What is the molecular weight of 3-Chlorobiphenyl?
The molecular weight of 3-Chlorobiphenyl is 188.03928 g/mol.
Where can I buy 3-Chlorobiphenyl?
You can request a quote for 3-Chlorobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chlorobiphenyl?
Yes, CoreyChem provides custom synthesis services for 3-Chlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.