3-溴苯酚
TL;DR: 3-溴苯酚 (CAS 591-20-8) is a chemical compound with molecular formula C6H5BrO and molecular weight 171.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴苯酚
3-bromophenol
Also Known As: 3-BROMOPHENOL, m-Bromophenol, Phenol, 3-bromo-, 3-Bromo-phenol, meta-bromophenol
| Molecular Formula | C6H5BrO |
|---|---|
| Molecular Weight | 171.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.95238 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Melting Point | 33 °C |
| Boiling Point | 236.5 °C |
| Solubility | Slightly soluble in carbon tetrachloride; soluble in chloroform, alkali; very soluble in ethanol, ether |
| Flash Point | 110.00 °C (230.00deg F) - closed cup |
Chemical Identifiers
| CAS Number | 591-20-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)O |
| InChIKey | MNOJRWOWILAHAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴苯酚 (CAS 591-20-8), with molecular formula C6H5BrO and molecular weight 171.95 g/mol. IUPAC: 3-bromophenol.
Chemical Property Profile of 3-溴苯酚
Property Insights of 3-溴苯酚
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 3-溴苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴苯酚 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
Frequently Asked Questions
What is the CAS number of 3-溴苯酚?
The CAS number of 3-溴苯酚 is 591-20-8.
What is the molecular formula of 3-溴苯酚?
The molecular formula of 3-溴苯酚 is C6H5BrO.
What is the molecular weight of 3-溴苯酚?
The molecular weight of 3-溴苯酚 is 171.95 g/mol.
Where can I buy 3-溴苯酚?
You can request a quote for 3-溴苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴苯酚?
Yes, KEHONG BIO provides custom synthesis services for 3-溴苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.