2-Chloro-4,5-dinitro-toluene
TL;DR: 2-Chloro-4,5-dinitro-toluene (CAS 56548-50-6) is a chemical compound with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methyl-4,5-dinitrobenzene
Also Known As: 2-Chloro-4,5-dinitro-toluene, 1-chloro-2-methyl-4,5-dinitrobenzene, 2-Chloro-4,5-dinitrotoluene, 4,5-Diiodo-2-methylimidazole, Benzene,1-chloro-2-methyl-4,5-dinitro-
| Molecular Formula | C7H5ClN2O4 |
|---|---|
| Molecular Weight | 215.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.99379 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 56548-50-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WQSOOJHJGVAMQN-UHFFFAOYSA-N |
Product Overview
2-Chloro-4,5-dinitro-toluene (CAS 56548-50-6), with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol. IUPAC: 1-chloro-2-methyl-4,5-dinitrobenzene.
Chemical Property Profile of 2-Chloro-4,5-dinitro-toluene
Property Insights of 2-Chloro-4,5-dinitro-toluene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,5-dinitro-toluene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4,5-dinitro-toluene. Following Lipinski's Rule of Five, 2-Chloro-4,5-dinitro-toluene 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-Chloro-4,5-dinitro-toluene?
The CAS number of 2-Chloro-4,5-dinitro-toluene is 56548-50-6.
What is the molecular formula of 2-Chloro-4,5-dinitro-toluene?
The molecular formula of 2-Chloro-4,5-dinitro-toluene is C7H5ClN2O4.
What is the molecular weight of 2-Chloro-4,5-dinitro-toluene?
The molecular weight of 2-Chloro-4,5-dinitro-toluene is 215.99 g/mol.
Where can I buy 2-Chloro-4,5-dinitro-toluene?
You can request a quote for 2-Chloro-4,5-dinitro-toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4,5-dinitro-toluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,5-dinitro-toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.