4-Chloro-2,6-dinitroaniline
TL;DR: 4-Chloro-2,6-dinitroaniline (CAS 5388-62-5) is a chemical compound with molecular formula C6H4ClN3O4 and molecular weight 216.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,6-dinitroaniline
Also Known As: 4-Chloro-2,6-dinitroaniline, Aniline,6-dinitro-, 2,6-DINITRO-4-CHLOROANILINE, Benzenamine,6-dinitro-, Aniline, 4-chloro-2,6-dinitro-
| Molecular Formula | C6H4ClN3O4 |
|---|---|
| Molecular Weight | 216.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.98903 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
| Melting Point | 147 °C |
| Solubility | Very soluble in ether, ethanol, acetic acid |
| Vapor Pressure | 0.00000735 [mmHg] |
Chemical Identifiers
| CAS Number | 5388-62-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl |
| InChIKey | CLMQUEQFVUMDPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2,6-dinitroaniline (CAS 5388-62-5), with molecular formula C6H4ClN3O4 and molecular weight 216.99 g/mol. IUPAC: 4-chloro-2,6-dinitroaniline.
Chemical Property Profile of 4-Chloro-2,6-dinitroaniline
Property Insights of 4-Chloro-2,6-dinitroaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,6-dinitroaniline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2,6-dinitroaniline. Following Lipinski's Rule of Five, 4-Chloro-2,6-dinitroaniline has 1 hydrogen bond donor(s) and 5 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 4-Chloro-2,6-dinitroaniline?
The CAS number of 4-Chloro-2,6-dinitroaniline is 5388-62-5.
What is the molecular formula of 4-Chloro-2,6-dinitroaniline?
The molecular formula of 4-Chloro-2,6-dinitroaniline is C6H4ClN3O4.
What is the molecular weight of 4-Chloro-2,6-dinitroaniline?
The molecular weight of 4-Chloro-2,6-dinitroaniline is 216.99 g/mol.
Where can I buy 4-Chloro-2,6-dinitroaniline?
You can request a quote for 4-Chloro-2,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.