Benfluralin

Base Information

• Chemical Name: Benfluralin
• CAS No.: 1861-40-1
• Deprecated CAS: 87209-90-3
• Molecular Formula: C13H16F3N3O4
• Molecular Weight: 335.283
• Hs Code.: 29214300
• European Community (EC) Number: 217-465-2
• UN Number: 3077,2588
• UNII: 28224BUY6R
• DSSTox Substance ID: DTXSID3023899
• Nikkaji Number: J1.786H
• Wikipedia: Benfluralin
• Wikidata: Q421520
• ChEMBL ID: CHEMBL1256668
• Mol file: 1861-40-1.mol

Synonyms:Balan;benefin;benfluralin

Chemical Property of Benfluralin

Chemical Property:

• Appearance/Colour: yellow-orange solid
• Vapor Pressure: 1.21E-05mmHg at 25°C
• Melting Point: 65 - 67oC
• Refractive Index: 1.527
• Boiling Point: 369.107 °C at 760 mmHg
• PKA: -0.59±0.50(Predicted)
• Flash Point: 177.03 °C
• PSA: 94.88000
• Density: 1.337 g/cm³
• LogP: 5.19460
• Storage Temp.: 0-6°C
• Water Solubility.: <1mg/L(25 oC)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 335.10929049
• Heavy Atom Count: 23
• Complexity: 398
• Transport DOT Label: Class 9

Purity/Quality:

99.9% ^*data from raw suppliers

Benfluralin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 22-24/25-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Nitroaromatic
• Canonical SMILES: CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
• Description: Since 1970, benfluralin has been registered in the United States as a preemergent dinitroaniline herbicide. In 2004, the US Environmental Protection Agency (EPA) conducted an assessment to determine if pesticide products containing the active ingredient of benfluralin were eligible for pesticide reregistration. The criteria included meeting current human health and safety standards, and determining if the pesticide being used poses any unreasonable risks to human health and the environment. Results of the US EPA assessment were explained in the Reregistration Eligibility Decision (RED) of benfluralin. The RED document determined that pesticides with the active ingredient of benfluralin were eligible for reregistration provided certain stipulations listed in the RED document were met that included additional label requirements. Under the Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) Section 3, all new pesticides used in the United States must be registered by the Administrator of the US EPA. There are 38 products registered for benfluralin.
• Uses: Herbicide. A dinitroanilie heribicide used for the control of a wide range annual grass and broadleaf weeds in crops such as groundnuts, tobacco, lettuce, turf, alfalfa, clover, watermelons and sweet melons. Benfluralin is a preemergent herbicide registered to control monocot (one cotyledon: plant embryo with single ‘seed leaf’) and dicot (two cotyledon: plant embryo with two ‘seed leaves’) weeded species in commercial and residential applications. Target species for benfluralin include Johnson grass seedlings, chickweed, lamb quarters, purslane, knotweed, clover, and barnyard grass. Benfluralin affects seed germination and prevents weed growth by inhibition of root development. Absorbed by roots, benfluralin inhibits microtubule formation by binding to tubulin, thereby disrupting cell division and leading to microfibril disorientation. Benfluralin can be used alone or formulated with other structurally related preemergent herbicides. Benfluralin has been formulated with oryzalin, isoxaben, triclopyr and/or trifluralin. Various formulated types include emulsifiable concentrate, granules, soluble concentrate/liquid, and water dispersed granules. Benfluralin is formulated as granules in 42 end-use products and one product in the form of water dispersible granules. Applications can be by broadcast (granules and fertilizer mixed) and band treatment, golf course treatment, soil incorporated treatment, and spray with ground/sprinkler irrigation systems. Agricultural usage of benfluralin is predominately on lettuce, alfalfa, clover, birdsfoot trefoil, nonbearing fruit and nut trees, and vineyards. A trifluoromethyl dinitroaniline selective preemergence herbicide for control of annual grasses and some broad-leaved weeds in vegetables and turf.

Technology Process of Benfluralin

There total 2 articles about Benfluralin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-chloro-3,5-dinitrobenzotrifluoride (393-75-9) + N-ethylbutylamine (13360-63-9) → benefin (1861-40-1)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1139/v98-089

Reference yield:

→ benefin (1861-40-1)

Guidance literature:

entspr. Amin, 4-Chlor-3,5-dinitrobenzotrifluorid, A., im abgeschmolzenen Rohr;

DOI:10.1021/jf60181a010

upstream raw materials:

4-chloro-3,5-dinitrobenzotrifluoride

N-ethylbutylamine