3,6-Dinitro-o-toluidine
TL;DR: 3,6-Dinitro-o-toluidine (CAS 56207-39-7) is a chemical compound with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,6-dinitroaniline
Also Known As: 3,6-Dinitro-o-toluidine, 2-methyl-3,6-dinitroaniline, o-Toluidine,3,6-dinitro, o-Toluidine, 3,6-dinitro-, 2-AMINO-3,6-DINITROTOLUENE
| Molecular Formula | C7H7N3O4 |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.04366 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 56207-39-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VVZWLLMSXCXIRJ-UHFFFAOYSA-N |
Product Overview
3,6-Dinitro-o-toluidine (CAS 56207-39-7), with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol. IUPAC: 2-methyl-3,6-dinitroaniline.
Chemical Property Profile of 3,6-Dinitro-o-toluidine
Property Insights of 3,6-Dinitro-o-toluidine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dinitro-o-toluidine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dinitro-o-toluidine. Following Lipinski's Rule of Five, 3,6-Dinitro-o-toluidine 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 3,6-Dinitro-o-toluidine?
The CAS number of 3,6-Dinitro-o-toluidine is 56207-39-7.
What is the molecular formula of 3,6-Dinitro-o-toluidine?
The molecular formula of 3,6-Dinitro-o-toluidine is C7H7N3O4.
What is the molecular weight of 3,6-Dinitro-o-toluidine?
The molecular weight of 3,6-Dinitro-o-toluidine is 197.04 g/mol.
Where can I buy 3,6-Dinitro-o-toluidine?
You can request a quote for 3,6-Dinitro-o-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dinitro-o-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dinitro-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.