邻苯二酚
TL;DR: 邻苯二酚 (CAS 120-80-9) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二酚
benzene-1,2-diol
Also Known As: catechol, pyrocatechol, 1,2-benzenediol, 1,2-dihydroxybenzene, benzene-1,2-diol
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | 105.0 °C |
| Boiling Point | 245.0 °C at 760 mmHg (sublimes) |
| Density | 1.344 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 127.2 °C |
| Vapor Pressure | 5 mmHg at 103.9 °C ; 10 mmHg at 118.3 °C |
| Refractive Index | 1.604 at 25 °C |
Chemical Identifiers
| CAS Number | 120-80-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)O)O |
| InChIKey | YCIMNLLNPGFGHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二酚 (CAS 120-80-9), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: benzene-1,2-diol.
Chemical Property Profile of 邻苯二酚
Property Insights of 邻苯二酚
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 邻苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苯二酚 has 2 hydrogen bond donor(s) and 2 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 邻苯二酚?
The CAS number of 邻苯二酚 is 120-80-9.
What is the molecular formula of 邻苯二酚?
The molecular formula of 邻苯二酚 is C6H6O2.
What is the molecular weight of 邻苯二酚?
The molecular weight of 邻苯二酚 is 110.04 g/mol.
Where can I buy 邻苯二酚?
You can request a quote for 邻苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.