2,3-Dinitrotoluene
TL;DR: 2,3-Dinitrotoluene (CAS 602-01-7) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2,3-dinitrobenzene
Also Known As: 2,3-DINITROTOLUENE, 1-Methyl-2,3-dinitrobenzene, 2,3-Dinitrotoluol, DINITROTOLUENE, null
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
| Melting Point | 70.0 °C |
| Boiling Point | 250.0 °C at 760 mmHg |
| Density | 1.3208 |
| Solubility | Very slightly soluble (NTP, 1992) |
| Flash Point | 206.7 °C |
| Vapor Pressure | 1 mmHg |
Chemical Identifiers
| CAS Number | 602-01-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DYSXLQBUUOPLBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dinitrotoluene (CAS 602-01-7), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: 1-methyl-2,3-dinitrobenzene.
Chemical Property Profile of 2,3-Dinitrotoluene
Property Insights of 2,3-Dinitrotoluene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dinitrotoluene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dinitrotoluene. Following Lipinski's Rule of Five, 2,3-Dinitrotoluene has 0 hydrogen bond donor(s) and 4 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-Dinitrotoluene?
The CAS number of 2,3-Dinitrotoluene is 602-01-7.
What is the molecular formula of 2,3-Dinitrotoluene?
The molecular formula of 2,3-Dinitrotoluene is C7H6N2O4.
What is the molecular weight of 2,3-Dinitrotoluene?
The molecular weight of 2,3-Dinitrotoluene is 182.03 g/mol.
Where can I buy 2,3-Dinitrotoluene?
You can request a quote for 2,3-Dinitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dinitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dinitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.