2,4-Dichloro-3-methyl-1,5-dinitrobenzene
TL;DR: 2,4-Dichloro-3-methyl-1,5-dinitrobenzene (CAS 51676-76-7) is a chemical compound with molecular formula C7H4Cl2N2O4 and molecular weight 249.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-3-methyl-1,5-dinitrobenzene
Also Known As: 2,4-Dichloro-3-methyl-1,5-dinitrobenzene, 2,6-dichloro-3,5-dinitrotoluene, Benzene, 2,4-dichloro-3-methyl-1,5-dinitro-, 24-Dichloro-3-methyl-15-dinitrobenzene, 2,4-dichloro-3-methyl-1,5-dinitro-benzene
| Molecular Formula | C7H4Cl2N2O4 |
|---|---|
| Molecular Weight | 249.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.95482 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 51676-76-7 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | JPOQYGXPWJDBLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichloro-3-methyl-1,5-dinitrobenzene (CAS 51676-76-7), with molecular formula C7H4Cl2N2O4 and molecular weight 249.95 g/mol. IUPAC: 2,4-dichloro-3-methyl-1,5-dinitrobenzene.
Chemical Property Profile of 2,4-Dichloro-3-methyl-1,5-dinitrobenzene
Property Insights of 2,4-Dichloro-3-methyl-1,5-dinitrobenzene
The XLogP value of 3.2 indicates that 2,4-Dichloro-3-methyl-1,5-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-3-methyl-1,5-dinitrobenzene. Following Lipinski's Rule of Five, 2,4-Dichloro-3-methyl-1,5-dinitrobenzene 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 2,4-Dichloro-3-methyl-1,5-dinitrobenzene?
The CAS number of 2,4-Dichloro-3-methyl-1,5-dinitrobenzene is 51676-76-7.
What is the molecular formula of 2,4-Dichloro-3-methyl-1,5-dinitrobenzene?
The molecular formula of 2,4-Dichloro-3-methyl-1,5-dinitrobenzene is C7H4Cl2N2O4.
What is the molecular weight of 2,4-Dichloro-3-methyl-1,5-dinitrobenzene?
The molecular weight of 2,4-Dichloro-3-methyl-1,5-dinitrobenzene is 249.95 g/mol.
Where can I buy 2,4-Dichloro-3-methyl-1,5-dinitrobenzene?
You can request a quote for 2,4-Dichloro-3-methyl-1,5-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-3-methyl-1,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-3-methyl-1,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.