2,3,6-Trinitrotoluene
TL;DR: 2,3,6-Trinitrotoluene (CAS 18292-97-2) is a chemical compound with molecular formula C7H5N3O6 and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3,4-trinitrobenzene
Also Known As: 2,3,6-TRINITROTOLUENE, 2-methyl-1,3,4-trinitrobenzene, Toluene, 2,3,6-trinitro-, Benzene, 1-methyl-2,3,6-trinitro-, 2,3,6-Trinitro-toluol
| Molecular Formula | C7H5N3O6 |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.01784 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 18292-97-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LFCALAUEQXYQIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-Trinitrotoluene (CAS 18292-97-2), with molecular formula C7H5N3O6 and molecular weight 227.02 g/mol. IUPAC: 2-methyl-1,3,4-trinitrobenzene.
Chemical Property Profile of 2,3,6-Trinitrotoluene
Property Insights of 2,3,6-Trinitrotoluene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-Trinitrotoluene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6-Trinitrotoluene. Following Lipinski's Rule of Five, 2,3,6-Trinitrotoluene has 0 hydrogen bond donor(s) and 6 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 2,3,6-Trinitrotoluene?
The CAS number of 2,3,6-Trinitrotoluene is 18292-97-2.
What is the molecular formula of 2,3,6-Trinitrotoluene?
The molecular formula of 2,3,6-Trinitrotoluene is C7H5N3O6.
What is the molecular weight of 2,3,6-Trinitrotoluene?
The molecular weight of 2,3,6-Trinitrotoluene is 227.02 g/mol.
Where can I buy 2,3,6-Trinitrotoluene?
You can request a quote for 2,3,6-Trinitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trinitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trinitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.