Fluorodifen

Base Information

• Chemical Name: Fluorodifen
• CAS No.: 15457-05-3
• Molecular Formula: C13H7 F3 N2 O5
• Molecular Weight: 328.204
• Hs Code.: 2909309014
• European Community (EC) Number: 239-474-0
• NSC Number: 58415
• UNII: H4154A0WOP
• DSSTox Substance ID: DTXSID7037553
• Nikkaji Number: J3.132A
• Wikidata: Q15809890
• Metabolomics Workbench ID: 67701
• ChEMBL ID: CHEMBL1892429
• Mol file: 15457-05-3.mol

Synonyms:fluorodifen

Chemical Property of Fluorodifen

Chemical Property:

• Vapor Pressure: 2.26E-05mmHg at 25°C
• Melting Point: 94℃
• Boiling Point: 371.1oC at 760 mmHg
• Flash Point: 178.2oC
• PSA: 100.87000
• Density: 1.51g/cm3
• LogP: 5.36050
• Water Solubility.: 2mg/L(20 oC)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 328.03070581
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

99% ^*data from raw suppliers

Fluorodifen ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36-50/53
• Safety Statements: 26-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Technology Process of Fluorodifen

There total 3 articles about Fluorodifen 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: 82.5%

→ fluorodifen (15457-05-3) + 2,4-dinitro-1-(4-(trifluoromethyl)phenoxy)-benzene

Guidance literature:

With 2-nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide; at 55 - 60 ℃; for 19h; Overall yield = 88 percent; Inert atmosphere; Sealed tube;

Reference yield: 82.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → fluorodifen (15457-05-3)

Guidance literature:

With potassium hydroxide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 60 ℃; for 2h;

DOI:10.1080/00304940409355387

Reference yield:

→ fluorodifen (15457-05-3)

Guidance literature:

upstream raw materials:

4-nitro-phenol

2-chloro-3-nitro-5-trifluoromethylbenzene

Refernces

• 1、 Xu, Zhen Yuan,Xu, Dan Qian,Liu, Bao You. "Williamson reaction in ionic liquids". . p. 156 - 161. Retrieved 2007/10/03.
• 2、 -. "Process of improving activity of herbicides and fertilizers using N-(2-hydroxyethyl)-acetamide or -propanamide". . . Retrieved 2008/06/13.