3-硝基苯酚
TL;DR: 3-硝基苯酚 (CAS 554-84-7) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基苯酚
3-nitrophenol
Also Known As: 3-Nitrophenol, M-NITROPHENOL, 3-Hydroxynitrobenzene, Phenol, 3-nitro-, m-Hydroxynitrobenzene
| Molecular Formula | C6H5NO3 |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.02695 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| Melting Point | 205 to 97.8 °C |
| Boiling Point | 193.9 °C at 70 mmHg |
| Density | 1.485 at 20.0 °C 1.2797 at 100 °C (Liquid) |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Vapor Pressure | 70 mmHg at 193.9 °C |
Chemical Identifiers
| CAS Number | 554-84-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)[N+](=O)[O-] |
| InChIKey | RTZZCYNQPHTPPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苯酚 (CAS 554-84-7), with molecular formula C6H5NO3 and molecular weight 139.03 g/mol. IUPAC: 3-nitrophenol.
Chemical Property Profile of 3-硝基苯酚
Property Insights of 3-硝基苯酚
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯酚. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯酚. Following Lipinski's Rule of Five, 3-硝基苯酚 has 1 hydrogen bond donor(s) and 3 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-硝基苯酚?
The CAS number of 3-硝基苯酚 is 554-84-7.
What is the molecular formula of 3-硝基苯酚?
The molecular formula of 3-硝基苯酚 is C6H5NO3.
What is the molecular weight of 3-硝基苯酚?
The molecular weight of 3-硝基苯酚 is 139.03 g/mol.
Where can I buy 3-硝基苯酚?
You can request a quote for 3-硝基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.