对苯二酚
TL;DR: 对苯二酚 (CAS 123-31-9) 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.
对苯二酚
benzene-1,4-diol
Also Known As: hydroquinone, Benzene-1,4-diol, 1,4-benzenediol, Quinol, p-Hydroquinone
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 0.6 |
| 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 | 54.0 |
| Melting Point | 338 to 171.1 °C |
| Boiling Point | 545 to 287.2 °C at 760 mmHg |
| Density | 1.332 at 15.0 °C |
| Solubility | 10 to 50 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 165.0 °C |
| Vapor Pressure | 4 mmHg at 150.0 °C |
| Refractive Index | = 1.632 at 25 °C |
Chemical Identifiers
| CAS Number | 123-31-9 |
|---|---|
| SMILES | C1=CC(=CC=C1O)O |
| InChIKey | QIGBRXMKCJKVMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对苯二酚 (CAS 123-31-9), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: benzene-1,4-diol.
Chemical Property Profile of 对苯二酚
Property Insights of 对苯二酚
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 对苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对苯二酚 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 对苯二酚?
The CAS number of 对苯二酚 is 123-31-9.
What is the molecular formula of 对苯二酚?
The molecular formula of 对苯二酚 is C6H6O2.
What is the molecular weight of 对苯二酚?
The molecular weight of 对苯二酚 is 110.04 g/mol.
Where can I buy 对苯二酚?
You can request a quote for 对苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 对苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.