2,4,6-Trinitro-m-cresol
TL;DR: 2,4,6-Trinitro-m-cresol (CAS 602-99-3) is a chemical compound with molecular formula C7H5N3O7 and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4,6-trinitrophenol
Also Known As: Cresylite, 2,4,6-Trinitro-m-cresol, Trinitro-m-cresol, Trinitro-meta-cresol, Methylpicric acid
| Molecular Formula | C7H5N3O7 |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.01276 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
| Melting Point | 106 °C |
| Boiling Point | Explodes at 150 °C |
| Density | 1.75 g/cu cm |
| Solubility | In water, 2200 mg/L at 25 °C |
| Vapor Pressure | 1.3X10-6 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 602-99-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | YYGJRRYSYLLCQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trinitro-m-cresol (CAS 602-99-3), with molecular formula C7H5N3O7 and molecular weight 243.01 g/mol. IUPAC: 3-methyl-2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitro-m-cresol
Property Insights of 2,4,6-Trinitro-m-cresol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitro-m-cresol. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,4,6-Trinitro-m-cresol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitro-m-cresol has 1 hydrogen bond donor(s) and 7 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 2,4,6-Trinitro-m-cresol?
The CAS number of 2,4,6-Trinitro-m-cresol is 602-99-3.
What is the molecular formula of 2,4,6-Trinitro-m-cresol?
The molecular formula of 2,4,6-Trinitro-m-cresol is C7H5N3O7.
What is the molecular weight of 2,4,6-Trinitro-m-cresol?
The molecular weight of 2,4,6-Trinitro-m-cresol is 243.01 g/mol.
Where can I buy 2,4,6-Trinitro-m-cresol?
You can request a quote for 2,4,6-Trinitro-m-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitro-m-cresol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitro-m-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.