2,6-二氯苯酚
TL;DR: 2,6-二氯苯酚 (CAS 87-65-0) is a chemical compound with molecular formula C6H4Cl2O and molecular weight 161.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氯苯酚
2,6-dichlorophenol
Also Known As: 2,6-DICHLOROPHENOL, Phenol, 2,6-dichloro-, 2,6-Dichlorfenol, 2,6-dichlorphenol, 2,6-dichloro-phenol
| Molecular Formula | C6H4Cl2O |
|---|---|
| Molecular Weight | 161.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.96391 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
| Melting Point | 154 to 68.9 °C |
| Boiling Point | 424 to 220.0 °C at 760 mmHg |
| Density | 1.653 g/cu cm at 20 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 59.5 °C ; 5 mmHg at 87.6 °C; 10 mmHg at 101.0 °C |
Chemical Identifiers
| CAS Number | 87-65-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)O)Cl |
| InChIKey | HOLHYSJJBXSLMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氯苯酚 (CAS 87-65-0), with molecular formula C6H4Cl2O and molecular weight 161.96 g/mol. IUPAC: 2,6-dichlorophenol.
Chemical Property Profile of 2,6-二氯苯酚
Property Insights of 2,6-二氯苯酚
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二氯苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-二氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氯苯酚 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 2,6-二氯苯酚?
The CAS number of 2,6-二氯苯酚 is 87-65-0.
What is the molecular formula of 2,6-二氯苯酚?
The molecular formula of 2,6-二氯苯酚 is C6H4Cl2O.
What is the molecular weight of 2,6-二氯苯酚?
The molecular weight of 2,6-二氯苯酚 is 161.96 g/mol.
Where can I buy 2,6-二氯苯酚?
You can request a quote for 2,6-二氯苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.