1-Chloro-3,5-dinitrobenzene
TL;DR: 1-Chloro-3,5-dinitrobenzene (CAS 618-86-0) 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.
1-chloro-3,5-dinitrobenzene
Also Known As: 1-chloro-3,5-dinitrobenzene, 3,5-dinitrochlorobenzene, m-Dinitrochlorobenzene, Benzene, 1-chloro-3,5-dinitro-, 1-chloro-3,5-dinitro-benzene
| Molecular Formula | C6H3ClN2O4 |
|---|---|
| Molecular Weight | 201.98 g/mol |
| LogP | 2.3 |
| 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 |
Chemical Identifiers
| CAS Number | 618-86-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | GFJKASVFAWFUNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3,5-dinitrobenzene (CAS 618-86-0), with molecular formula C6H3ClN2O4 and molecular weight 201.98 g/mol. IUPAC: 1-chloro-3,5-dinitrobenzene.
Chemical Property Profile of 1-Chloro-3,5-dinitrobenzene
Property Insights of 1-Chloro-3,5-dinitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3,5-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3,5-dinitrobenzene. Following Lipinski's Rule of Five, 1-Chloro-3,5-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 1-Chloro-3,5-dinitrobenzene?
The CAS number of 1-Chloro-3,5-dinitrobenzene is 618-86-0.
What is the molecular formula of 1-Chloro-3,5-dinitrobenzene?
The molecular formula of 1-Chloro-3,5-dinitrobenzene is C6H3ClN2O4.
What is the molecular weight of 1-Chloro-3,5-dinitrobenzene?
The molecular weight of 1-Chloro-3,5-dinitrobenzene is 201.98 g/mol.
Where can I buy 1-Chloro-3,5-dinitrobenzene?
You can request a quote for 1-Chloro-3,5-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-3,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.