2-Methyl-4,6-dinitrophenol
TL;DR: 2-Methyl-4,6-dinitrophenol (CAS 534-52-1) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,6-dinitrophenol
Also Known As: DNOC, 2-Methyl-4,6-dinitrophenol, Antinonnin, 4,6-DINITRO-O-CRESOL, Dinitrocresol
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
| Melting Point | 87.8 °C |
| Boiling Point | 312.2 °C at 760 mmHg |
| Density | greater than 1.1 at 20.0 °C (est) |
| Solubility | 0.01 % (NIOSH, 2024) |
| Flash Point | None |
| Vapor Pressure | 5e-05 mmHg |
Chemical Identifiers
| CAS Number | 534-52-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZXVONLUNISGICL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4,6-dinitrophenol (CAS 534-52-1), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 2-methyl-4,6-dinitrophenol.
Chemical Property Profile of 2-Methyl-4,6-dinitrophenol
Property Insights of 2-Methyl-4,6-dinitrophenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4,6-dinitrophenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4,6-dinitrophenol. Following Lipinski's Rule of Five, 2-Methyl-4,6-dinitrophenol has 1 hydrogen bond donor(s) and 5 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-Methyl-4,6-dinitrophenol?
The CAS number of 2-Methyl-4,6-dinitrophenol is 534-52-1.
What is the molecular formula of 2-Methyl-4,6-dinitrophenol?
The molecular formula of 2-Methyl-4,6-dinitrophenol is C7H6N2O5.
What is the molecular weight of 2-Methyl-4,6-dinitrophenol?
The molecular weight of 2-Methyl-4,6-dinitrophenol is 198.03 g/mol.
Where can I buy 2-Methyl-4,6-dinitrophenol?
You can request a quote for 2-Methyl-4,6-dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.