1,5-Dichloro-2,3-dinitrobenzene
TL;DR: 1,5-Dichloro-2,3-dinitrobenzene (CAS 28689-08-9) is a chemical compound with molecular formula C6H2Cl2N2O4 and molecular weight 235.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dichloro-2,3-dinitrobenzene
Also Known As: 1,5-Dichloro-2,3-dinitrobenzene, 3,5-Dichloro-1,2-dinitrobenzene, Benzene, 1,5-dichloro-2,3-dinitro-, 1,3-Dichloro-4,5-dinitrobenzene, Benzene, 3,5-dichloro-1,2-dinitro-
| Molecular Formula | C6H2Cl2N2O4 |
|---|---|
| Molecular Weight | 235.94 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.93916 |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 28689-08-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])Cl)Cl |
| InChIKey | OBRJNJHIDOWUTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dichloro-2,3-dinitrobenzene (CAS 28689-08-9), with molecular formula C6H2Cl2N2O4 and molecular weight 235.94 g/mol. IUPAC: 1,5-dichloro-2,3-dinitrobenzene.
Chemical Property Profile of 1,5-Dichloro-2,3-dinitrobenzene
Property Insights of 1,5-Dichloro-2,3-dinitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dichloro-2,3-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dichloro-2,3-dinitrobenzene. Following Lipinski's Rule of Five, 1,5-Dichloro-2,3-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 1,5-Dichloro-2,3-dinitrobenzene?
The CAS number of 1,5-Dichloro-2,3-dinitrobenzene is 28689-08-9.
What is the molecular formula of 1,5-Dichloro-2,3-dinitrobenzene?
The molecular formula of 1,5-Dichloro-2,3-dinitrobenzene is C6H2Cl2N2O4.
What is the molecular weight of 1,5-Dichloro-2,3-dinitrobenzene?
The molecular weight of 1,5-Dichloro-2,3-dinitrobenzene is 235.94 g/mol.
Where can I buy 1,5-Dichloro-2,3-dinitrobenzene?
You can request a quote for 1,5-Dichloro-2,3-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dichloro-2,3-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dichloro-2,3-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.