Ethalfluralin
TL;DR: Ethalfluralin (CAS 55283-68-6) is a chemical compound with molecular formula C13H14F3N3O4 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: ETHALFLURALIN, Sonalan, Buvilan, Edge, Ethafluralin
| Molecular Formula | C13H14F3N3O4 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.09363 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
| Melting Point | 55-56 °C |
| Boiling Point | Decomposes at 256 °C |
| Solubility | In acetone, acetonitrile, benzene, chloroform, dichloromethane, xylene >500, methanol 82-100 (all in g/L, 25 °C) |
| Vapor Pressure | 0.0000878 [mmHg] |
Chemical Identifiers
| CAS Number | 55283-68-6 |
|---|---|
| SMILES | CCN(CC(=C)C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PTFJIKYUEPWBMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethalfluralin (CAS 55283-68-6), with molecular formula C13H14F3N3O4 and molecular weight 333.09 g/mol. IUPAC: N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of Ethalfluralin
Property Insights of Ethalfluralin
The XLogP value of 5.1 indicates that Ethalfluralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethalfluralin. Following Lipinski's Rule of Five, Ethalfluralin has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethalfluralin?
The CAS number of Ethalfluralin is 55283-68-6.
What is the molecular formula of Ethalfluralin?
The molecular formula of Ethalfluralin is C13H14F3N3O4.
What is the molecular weight of Ethalfluralin?
The molecular weight of Ethalfluralin is 333.09 g/mol.
Where can I buy Ethalfluralin?
You can request a quote for Ethalfluralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethalfluralin?
Yes, KEHONG BIO provides custom synthesis services for Ethalfluralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.