3,4-Dinitrofluorobenzene
TL;DR: 3,4-Dinitrofluorobenzene (CAS 364-53-4) is a chemical compound with molecular formula C6H3FN2O4 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-1,2-dinitrobenzene
Also Known As: 3,4-Dinitrofluorobenzene, 4-fluoro-1,2-dinitrobenzene, 1,2-Dinitro-4-fluorobenzene, 1-Fluoro-3,4-dinitrobenzene, 4-fluorodinitro-benzene
| Molecular Formula | C6H3FN2O4 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.00769 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 364-53-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IRIUWJQQUVBRLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dinitrofluorobenzene (CAS 364-53-4), with molecular formula C6H3FN2O4 and molecular weight 186.01 g/mol. IUPAC: 4-fluoro-1,2-dinitrobenzene.
Chemical Property Profile of 3,4-Dinitrofluorobenzene
Property Insights of 3,4-Dinitrofluorobenzene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dinitrofluorobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dinitrofluorobenzene. Following Lipinski's Rule of Five, 3,4-Dinitrofluorobenzene has 0 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 3,4-Dinitrofluorobenzene?
The CAS number of 3,4-Dinitrofluorobenzene is 364-53-4.
What is the molecular formula of 3,4-Dinitrofluorobenzene?
The molecular formula of 3,4-Dinitrofluorobenzene is C6H3FN2O4.
What is the molecular weight of 3,4-Dinitrofluorobenzene?
The molecular weight of 3,4-Dinitrofluorobenzene is 186.01 g/mol.
Where can I buy 3,4-Dinitrofluorobenzene?
You can request a quote for 3,4-Dinitrofluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dinitrofluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dinitrofluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.