2,4,6-Trinitroanisole
TL;DR: 2,4,6-Trinitroanisole (CAS 606-35-9) 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.
2-methoxy-1,3,5-trinitrobenzene
Also Known As: Methyl picrate, Trinitroanisole, trinitroanisol, 2,4,6-TRINITROANISOLE, Ether, methyl picryl
| Molecular Formula | C7H5N3O7 |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.01276 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
| Melting Point | 67.6 °C |
| Density | 1.408 at 20 |
| Solubility | In water, 200 mg/L at 15 °C, 1368 mg/L at 50 °C |
| Vapor Pressure | 5.5X10-6 mm Hg at 25 deg (extrapolated from measurements at higher temperatures in the solid phase via Antoine equation) |
Chemical Identifiers
| CAS Number | 606-35-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FMXDVBRYDYFVGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trinitroanisole (CAS 606-35-9), with molecular formula C7H5N3O7 and molecular weight 243.01 g/mol. IUPAC: 2-methoxy-1,3,5-trinitrobenzene.
Chemical Property Profile of 2,4,6-Trinitroanisole
Property Insights of 2,4,6-Trinitroanisole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitroanisole. The TPSA of 147.0 Ų indicates high polarity, suggesting 2,4,6-Trinitroanisole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitroanisole has 0 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-Trinitroanisole?
The CAS number of 2,4,6-Trinitroanisole is 606-35-9.
What is the molecular formula of 2,4,6-Trinitroanisole?
The molecular formula of 2,4,6-Trinitroanisole is C7H5N3O7.
What is the molecular weight of 2,4,6-Trinitroanisole?
The molecular weight of 2,4,6-Trinitroanisole is 243.01 g/mol.
Where can I buy 2,4,6-Trinitroanisole?
You can request a quote for 2,4,6-Trinitroanisole 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-Trinitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.