Benfluralin
TL;DR: Benfluralin (CAS 1861-40-1) is a chemical compound with molecular formula C13H16F3N3O4 and molecular weight 335.10928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: benfluralin, Bethrodine, Balan, Benfluraline, Benephin
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16F3N3O4 |
| Molecular Weight | 335.10928 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.10928 Da |
| 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 |
| Vapor Pressure | 0.0000653 [mmHg] |
| 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 |
| SMILES | CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | SMDHCQAYESWHAE-UHFFFAOYSA-N |
Product Description
Applications: Benfluralin is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benfluralin (CAS 1861-40-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A agrochemical intermediate supplied by CoreyChem, Benfluralin (CAS 1861-40-1) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.11 g/mol. Reported properties include a 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. It is also known as benfluralin and Bethrodine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benfluralin
Property Insights of Benfluralin
The XLogP value of 5.3 indicates that Benfluralin 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 Benfluralin. Following Lipinski's Rule of Five, Benfluralin has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benfluralin?
The CAS number of Benfluralin is 1861-40-1.
What is the molecular formula of Benfluralin?
The molecular formula of Benfluralin is C13H16F3N3O4.
What is the molecular weight of Benfluralin?
The molecular weight of Benfluralin is 335.10928 g/mol.
What are the applications of Benfluralin?
Benfluralin is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benfluralin (CAS...
Where can I buy Benfluralin?
You can request a quote for Benfluralin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benfluralin?
Yes, CoreyChem provides custom synthesis services for Benfluralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.