4-Methyl-3,5-dinitrophenol
TL;DR: 4-Methyl-3,5-dinitrophenol (CAS 63989-82-2) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.02766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3,5-dinitrophenol
Also Known As: 3,5-Dinitro-p-cresol, 4-methyl-3,5-dinitrophenol, 2,6-dinitro-p-kresol, 3,5-Dinitro-p-kresol, p-CRESOL, 3,5-DINITRO-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N2O5 |
| Molecular Weight | 198.02766 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02766 Da |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | HTAMNOAYOHLVPQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-3,5-dinitrophenol
Property Insights of 4-Methyl-3,5-dinitrophenol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3,5-dinitrophenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3,5-dinitrophenol. Following Lipinski's Rule of Five, 4-Methyl-3,5-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
What is the CAS number of 4-Methyl-3,5-dinitrophenol?
The CAS number of 4-Methyl-3,5-dinitrophenol is 63989-82-2.
What is the molecular formula of 4-Methyl-3,5-dinitrophenol?
The molecular formula of 4-Methyl-3,5-dinitrophenol is C7H6N2O5.
What is the molecular weight of 4-Methyl-3,5-dinitrophenol?
The molecular weight of 4-Methyl-3,5-dinitrophenol is 198.02766 g/mol.
Where can I buy 4-Methyl-3,5-dinitrophenol?
You can request a quote for 4-Methyl-3,5-dinitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-3,5-dinitrophenol?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-3,5-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.