1-Chloro-2,6-dinitrobenzene
TL;DR: 1-Chloro-2,6-dinitrobenzene (CAS 606-21-3) is a chemical compound with molecular formula C6H3ClN2O4 and molecular weight 201.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3-dinitrobenzene
Also Known As: 2-Chloro-1,3-dinitrobenzene, 2,6-DINITROCHLOROBENZENE, 1-Chloro-2,6-dinitrobenzene, 1,3-Dinitro-2-chlorobenzene, 2-Chloro-1,3-dintrobenzene
| Molecular Formula | C6H3ClN2O4 |
|---|---|
| Molecular Weight | 201.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.97813 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| Melting Point | 86-87 °C |
| Boiling Point | 315 °C |
| Density | 1.6867 g/ml @ 16.5 °C |
| Solubility | Moderately soluble in benzene, ether; soluble in alcohol. Practically insoluble in water. |
Chemical Identifiers
| CAS Number | 606-21-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | BPPMIQPXQVIZNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,6-dinitrobenzene (CAS 606-21-3), with molecular formula C6H3ClN2O4 and molecular weight 201.98 g/mol. IUPAC: 2-chloro-1,3-dinitrobenzene.
Chemical Property Profile of 1-Chloro-2,6-dinitrobenzene
Property Insights of 1-Chloro-2,6-dinitrobenzene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,6-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-2,6-dinitrobenzene. Following Lipinski's Rule of Five, 1-Chloro-2,6-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-2,6-dinitrobenzene?
The CAS number of 1-Chloro-2,6-dinitrobenzene is 606-21-3.
What is the molecular formula of 1-Chloro-2,6-dinitrobenzene?
The molecular formula of 1-Chloro-2,6-dinitrobenzene is C6H3ClN2O4.
What is the molecular weight of 1-Chloro-2,6-dinitrobenzene?
The molecular weight of 1-Chloro-2,6-dinitrobenzene is 201.98 g/mol.
Where can I buy 1-Chloro-2,6-dinitrobenzene?
You can request a quote for 1-Chloro-2,6-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-2,6-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,6-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.