Fomesafen

Base Information

• Chemical Name: Fomesafen
• CAS No.: 72178-02-0
• Molecular Formula: C15H10ClF3N2O6S
• Molecular Weight: 438.768
• Hs Code.: 29350090
• European Community (EC) Number: 276-439-9
• UNII: M0A3U4CDTF
• DSSTox Substance ID: DTXSID7024112
• Nikkaji Number: J20.689J
• Wikipedia: Fomesafen
• Wikidata: Q22807800
• ChEMBL ID: CHEMBL1898629
• Mol file: 72178-02-0.mol

Synonyms:5-(2-chloro-4-(trifluoromethyl)-phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide;fomesafen;fomesafen potassium;fomesafen sodium

Chemical Property of Fomesafen

Chemical Property:

• Appearance/Colour: White crystalline solid
• Melting Point: 220-221 °C
• Refractive Index: 1.565
• PKA: 23-25(at 25℃)
• PSA: 126.67000
• Density: 1.574 g/cm³
• LogP: 5.74360
• Storage Temp.: 0-6°C
• Solubility.: Acetonitrile (Slightly), DMSO
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 437.9900194
• Heavy Atom Count: 28
• Complexity: 693

Purity/Quality:

99% ^*data from raw suppliers

Fomesafen ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 2

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Protox-Inhibiting
• Canonical SMILES: CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
• Uses: Fomesafen is a protoporphyrinogen oxidae (PPO) inhibitor.

Technology Process of Fomesafen

There total 5 articles about Fomesafen 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: 96.0%

→ fomesafen (72178-02-0)

Guidance literature:

Reference yield: 85.2%

Ac2 O + 3-(2-chloro-α,α,α-trifluoro-4-tolyloxy)-N-(methylsulphonyl)benzamide (72178-12-2) → fomesafen (72178-02-0)

Guidance literature:

In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

Reference yield:

3-(2-chloro-α,α,α-trifluoro-4-tolyloxy)-N-(methylsulphonyl)benzamide (72178-12-2) → fomesafen (72178-02-0)

Guidance literature:

With sulfuric acid; acetic anhydride; In water;

upstream raw materials:

3-(2-chloro-α,α,α-trifluoro-4-tolyloxy)-N-(methylsulphonyl)benzamide

methanesulfonamide

acifluorfen

Downstream raw materials:

N,N-bis[5-(2-chloro-4-(trifluoromethyl) phenoxy)-2-nitrobenzoyl]methane sulfonamide

Refernces

• 1、 -. "Herbicidal mixtures having a synergistic effect". . . Retrieved 2008/06/13.
• 2、 -. "Nitration process". . . Retrieved 2008/06/13.