5-Fluoro-2,4-dinitroaniline
TL;DR: 5-Fluoro-2,4-dinitroaniline (CAS 367-81-7) is a chemical compound with molecular formula C6H4FN3O4 and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-2,4-dinitroaniline
Also Known As: 2,4-Dinitro-5-fluoroaniline, 5-Fluoro-2,4-dinitroaniline, bergmann's reagent, DNFA, Aniline,4-dinitro-
| Molecular Formula | C6H4FN3O4 |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.01859 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 367-81-7 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | RAGRTYREMCPEIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-2,4-dinitroaniline (CAS 367-81-7), with molecular formula C6H4FN3O4 and molecular weight 201.02 g/mol. IUPAC: 5-fluoro-2,4-dinitroaniline.
Chemical Property Profile of 5-Fluoro-2,4-dinitroaniline
Property Insights of 5-Fluoro-2,4-dinitroaniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-2,4-dinitroaniline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluoro-2,4-dinitroaniline. Following Lipinski's Rule of Five, 5-Fluoro-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 6 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 5-Fluoro-2,4-dinitroaniline?
The CAS number of 5-Fluoro-2,4-dinitroaniline is 367-81-7.
What is the molecular formula of 5-Fluoro-2,4-dinitroaniline?
The molecular formula of 5-Fluoro-2,4-dinitroaniline is C6H4FN3O4.
What is the molecular weight of 5-Fluoro-2,4-dinitroaniline?
The molecular weight of 5-Fluoro-2,4-dinitroaniline is 201.02 g/mol.
Where can I buy 5-Fluoro-2,4-dinitroaniline?
You can request a quote for 5-Fluoro-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 5-Fluoro-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.