氟乐灵
TL;DR: 氟乐灵 (CAS 1582-09-8) 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.
氟乐灵
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
Also Known As: trifluralin, Treflan, Elancolan, Tristar, Triflurex
| 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 | 392.0 |
| Melting Point | 115 to 47.2 °C |
| Boiling Point | Decomposes |
| Density | 1.294 at 25.0 °C |
| Solubility | less than 0.1 mg/mL at 72.5 °F (NTP, 1992) |
| Flash Point | greater than 85.0 °C |
| Vapor Pressure | 0.000199 mmHg at 29.5 °C |
Chemical Identifiers
| CAS Number | 1582-09-8 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | ZSDSQXJSNMTJDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟乐灵 (CAS 1582-09-8), with molecular formula C13H16F3N3O4 and molecular weight 335.11 g/mol. IUPAC: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline.
Chemical Property Profile of 氟乐灵
Property Insights of 氟乐灵
The XLogP value of 5.3 indicates that 氟乐灵 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 氟乐灵. Following Lipinski's Rule of Five, 氟乐灵 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 氟乐灵?
The CAS number of 氟乐灵 is 1582-09-8.
What is the molecular formula of 氟乐灵?
The molecular formula of 氟乐灵 is C13H16F3N3O4.
What is the molecular weight of 氟乐灵?
The molecular weight of 氟乐灵 is 335.11 g/mol.
Where can I buy 氟乐灵?
You can request a quote for 氟乐灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟乐灵?
Yes, KEHONG BIO provides custom synthesis services for 氟乐灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.