4-Bromophenol
TL;DR: 4-Bromophenol (CAS 106-41-2) is a chemical compound with molecular formula C6H5BrO and molecular weight 171.95238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromophenol
Also Known As: 4-BROMOPHENOL, p-Bromophenol, Phenol, 4-bromo-, p-Bromohydroxybenzene, 4-Bromo-phenol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5BrO |
| Molecular Weight | 171.95238 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.95238 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 66.4 °C |
| Boiling Point | 238 °C |
| Density | 1.840 g/cu cm at 15 °C |
| Vapor Pressure | 0.01 [mmHg] |
| Solubility | Freely soluble in alcohol, chloroform, ether, glacial acetic acid |
| SMILES | C1=CC(=CC=C1O)Br |
| InChIKey | GZFGOTFRPZRKDS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromophenol
Property Insights of 4-Bromophenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromophenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Bromophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenol has 1 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-Bromophenol?
The CAS number of 4-Bromophenol is 106-41-2.
What is the molecular formula of 4-Bromophenol?
The molecular formula of 4-Bromophenol is C6H5BrO.
What is the molecular weight of 4-Bromophenol?
The molecular weight of 4-Bromophenol is 171.95238 g/mol.
Where can I buy 4-Bromophenol?
You can request a quote for 4-Bromophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromophenol?
Yes, CoreyChem provides custom synthesis services for 4-Bromophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.