6-Chloro-2,4-dinitroaniline
TL;DR: 6-Chloro-2,4-dinitroaniline (CAS 3531-19-9) 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.
2-chloro-4,6-dinitroaniline
Also Known As: 2-Chloro-4,6-dinitroaniline, 6-Chloro-2,4-dinitroaniline, (2-chloro-4,6-dinitrophenyl)amine, Benzenamine, 2-chloro-4,6-dinitro-, 2,4-dinitro-6-chloroaniline
| Molecular Formula | C6H4ClN3O4 |
|---|---|
| Molecular Weight | 216.99 g/mol |
| LogP | 2.1 |
| 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 | 250.0 |
Chemical Identifiers
| CAS Number | 3531-19-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-] |
| InChIKey | LHRIICYSGQGXSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2,4-dinitroaniline (CAS 3531-19-9), with molecular formula C6H4ClN3O4 and molecular weight 216.99 g/mol. IUPAC: 2-chloro-4,6-dinitroaniline.
Chemical Property Profile of 6-Chloro-2,4-dinitroaniline
Property Insights of 6-Chloro-2,4-dinitroaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2,4-dinitroaniline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-2,4-dinitroaniline. Following Lipinski's Rule of Five, 6-Chloro-2,4-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 6-Chloro-2,4-dinitroaniline?
The CAS number of 6-Chloro-2,4-dinitroaniline is 3531-19-9.
What is the molecular formula of 6-Chloro-2,4-dinitroaniline?
The molecular formula of 6-Chloro-2,4-dinitroaniline is C6H4ClN3O4.
What is the molecular weight of 6-Chloro-2,4-dinitroaniline?
The molecular weight of 6-Chloro-2,4-dinitroaniline is 216.99 g/mol.
Where can I buy 6-Chloro-2,4-dinitroaniline?
You can request a quote for 6-Chloro-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.