1-Chloro-3-methyl-2,4-dinitrobenzene
TL;DR: 1-Chloro-3-methyl-2,4-dinitrobenzene (CAS 79913-56-7) 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-3-methyl-2,4-dinitrobenzene
Also Known As: 3-chloro-2,6-dinitrotoluene, 1-chloro-3-methyl-2,4-dinitrobenzene, 1-chloro-3-methyl-2,4-dinitro-benzene, Benzene, 1-chloro-3-methyl-2,4-dinitro-, 830-485-1
| Molecular Formula | C7H5ClN2O4 |
|---|---|
| Molecular Weight | 215.99 g/mol |
| LogP | 2.46482 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.99379 |
| Heavy Atoms | 14 |
| Complexity | 418.39597 |
Chemical Identifiers
| CAS Number | 79913-56-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
1-Chloro-3-methyl-2,4-dinitrobenzene (CAS 79913-56-7), with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol. IUPAC: 1-chloro-3-methyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-Chloro-3-methyl-2,4-dinitrobenzene
Property Insights of 1-Chloro-3-methyl-2,4-dinitrobenzene
The XLogP value of 2.46482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-methyl-2,4-dinitrobenzene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3-methyl-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-Chloro-3-methyl-2,4-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 1-Chloro-3-methyl-2,4-dinitrobenzene?
The CAS number of 1-Chloro-3-methyl-2,4-dinitrobenzene is 79913-56-7.
What is the molecular formula of 1-Chloro-3-methyl-2,4-dinitrobenzene?
The molecular formula of 1-Chloro-3-methyl-2,4-dinitrobenzene is C7H5ClN2O4.
What is the molecular weight of 1-Chloro-3-methyl-2,4-dinitrobenzene?
The molecular weight of 1-Chloro-3-methyl-2,4-dinitrobenzene is 215.99 g/mol.
Where can I buy 1-Chloro-3-methyl-2,4-dinitrobenzene?
You can request a quote for 1-Chloro-3-methyl-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-methyl-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-methyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.