4-Bromodiphenyl Ether
TL;DR: 4-Bromodiphenyl Ether (CAS 101-55-3) is a chemical compound with molecular formula C12H9BrO and molecular weight 247.98367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-phenoxybenzene
Also Known As: 1-Bromo-4-phenoxybenzene, 4-Bromodiphenyl ether, 4-Bromophenoxybenzene, 4-Bromophenyl phenyl ether, p-Bromodiphenyl ether
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9BrO |
| Molecular Weight | 247.98367 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.98367 Da |
| Heavy Atoms | 14 |
| Complexity | 158.0 |
| Melting Point | 63 °F (NTP, 1992) |
| Boiling Point | 581 °F at 760 mmHg (NTP, 1992) |
| Density | 1.4208 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 234 °F (NTP, 1992) |
| Vapor Pressure | 0.0015 [mmHg] |
| Refractive Index | Index of refraction: 1.6084 @ 20 °C |
| Solubility | Insol in water |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)Br |
| InChIKey | JDUYPUMQALQRCN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromodiphenyl Ether
Property Insights of 4-Bromodiphenyl Ether
The XLogP value of 4.4 indicates that 4-Bromodiphenyl Ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Bromodiphenyl Ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromodiphenyl Ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromodiphenyl Ether?
The CAS number of 4-Bromodiphenyl Ether is 101-55-3.
What is the molecular formula of 4-Bromodiphenyl Ether?
The molecular formula of 4-Bromodiphenyl Ether is C12H9BrO.
What is the molecular weight of 4-Bromodiphenyl Ether?
The molecular weight of 4-Bromodiphenyl Ether is 247.98367 g/mol.
Where can I buy 4-Bromodiphenyl Ether?
You can request a quote for 4-Bromodiphenyl Ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromodiphenyl Ether?
Yes, CoreyChem provides custom synthesis services for 4-Bromodiphenyl Ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.