氟草胺
TL;DR: 氟草胺 (CAS 1861-40-1) is a chemical compound with molecular formula C13H16F3N3O4 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟草胺
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: benfluralin, Bethrodine, Balan, Benfluraline, Benephin
| Molecular Formula | C13H16F3N3O4 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.10928 |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
| Melting Point | 65-66.5 °C |
| Boiling Point | 148-149 °C at 7 mm Hg; 121-122 °C at 0.5 mm Hg |
| Solubility | G/100 ML AT 25 °C: >50 IN ACETONE; >25 IN ACETONITRILE; >50 IN CHLOROFORM; 45 IN DIMETHYLFORMAMIDE; 60 IN DIOXANE; 4 IN METHANOL; 58 IN METHYL ETHYL KETONE; 45 IN XYLENE |
| Vapor Pressure | 0.0000653 [mmHg] |
Chemical Identifiers
| CAS Number | 1861-40-1 |
|---|---|
| SMILES | CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | SMDHCQAYESWHAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟草胺 (CAS 1861-40-1), with molecular formula C13H16F3N3O4 and molecular weight 335.11 g/mol. IUPAC: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 氟草胺
Property Insights of 氟草胺
The XLogP value of 5.3 indicates that 氟草胺 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 氟草胺. Following Lipinski's Rule of Five, 氟草胺 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 氟草胺?
The CAS number of 氟草胺 is 1861-40-1.
What is the molecular formula of 氟草胺?
The molecular formula of 氟草胺 is C13H16F3N3O4.
What is the molecular weight of 氟草胺?
The molecular weight of 氟草胺 is 335.11 g/mol.
Where can I buy 氟草胺?
You can request a quote for 氟草胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟草胺?
Yes, KEHONG BIO provides custom synthesis services for 氟草胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.