三溴苯酚
TL;DR: 三溴苯酚 (CAS 118-79-6) is a chemical compound with molecular formula C6H3Br3O and molecular weight 327.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三溴苯酚
2,4,6-tribromophenol
Also Known As: 2,4,6-tribromophenol, Tribromophenol, Bromol, Bromkal pur 3, Flammex 3BP
| Molecular Formula | C6H3Br3O |
|---|---|
| Molecular Weight | 327.77 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.77136 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| Melting Point | 203 to 96.1 °C |
| Boiling Point | 243.9 °C at 760 mmHg (Sublimes at 540-325.6 °C at 764 mmHg) |
| Density | 2.55 at 20.0 °C |
| Solubility | Slightly soluble (1-10 mg/ml) (NTP, 1992) |
| Vapor Pressure | 0.000303 [mmHg] |
Chemical Identifiers
| CAS Number | 118-79-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)Br)Br |
| InChIKey | BSWWXRFVMJHFBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三溴苯酚 (CAS 118-79-6), with molecular formula C6H3Br3O and molecular weight 327.77 g/mol. IUPAC: 2,4,6-tribromophenol.
Chemical Property Profile of 三溴苯酚
Property Insights of 三溴苯酚
The XLogP value of 4.4 indicates that 三溴苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 三溴苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三溴苯酚 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 三溴苯酚?
The CAS number of 三溴苯酚 is 118-79-6.
What is the molecular formula of 三溴苯酚?
The molecular formula of 三溴苯酚 is C6H3Br3O.
What is the molecular weight of 三溴苯酚?
The molecular weight of 三溴苯酚 is 327.77 g/mol.
Where can I buy 三溴苯酚?
You can request a quote for 三溴苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三溴苯酚?
Yes, KEHONG BIO provides custom synthesis services for 三溴苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.