4707-12-4

Basic information

• Product Name: Benzoic acid, 2,3,5,6-tetrafluoro-, methyl ester
• CAS NO: 4707-12-4
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.112
• Mol File: 4707-12-4.mol
• Article Data: 15

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 2,3,5,6-tetrafluoro-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2,3,5,6-tetrafluoro-, methyl ester(4707-12-4)
• EPA Substance Registry System: Benzoic acid, 2,3,5,6-tetrafluoro-, methyl ester(4707-12-4)

Safety Data

• Hazardous Substances Data: 4707-12-4(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 652-18-6 2,3,5,6-tetrafluorobenzoic acid 
• 115-18-4 2-methyl-3-buten-2-ol 
• 36629-42-2 methyl pentafluorobenzoate 
• 65781-16-0 1,2,3,4,5-pentafluoro-6-((2-methylbut-3-en-2-yl)oxy)benzene 
• 24509-88-4 2-methyl-3-buten-2-yl acetate 
• 1040738-23-5 2-fluoro-6-((2-methylbut-3-en-2-yl)oxy)pyridine 
• 602-94-8 Pentafluorobenzoic acid 
• 727-55-9 dimethyl 2,3,5,6-tetrafluoroterephthalate 

Downstream Products

• 1003295-27-9 3-azido-1,2,4,5-tetrafluorobenzene 

Relevant articles and documents

Diazaphospholene-Catalyzed Hydrodefluorination of Polyfluoroarenes with Phenylsilane via Concerted Nucleophilic Aromatic Substitution

The metal-free catalytic C-F bond activation of polyfluoroarenes was achieved with diazaphospholene as the catalyst and phenylsilane as the terminal reductant. Density functional theory calculations suggested a concerted nucleophilic aromatic substitution mechanism.

Catalyst-Free Hydrodefluorination of Perfluoroarenes with NaBH4

Presented is an economical means of removing fluorine from various highly fluorinated arenes using NaBH4. The procedure was adapted for different classes of perfluoroarenes. A novel isomer of an emerging class of organic dyes based on the carbazole phthalonitrile motif was succinctly synthesized in two steps from tetrafluorophthalonitrile, demonstrating the utility of the hydrodefluorination procedure. Initial exploration of the dye shows it to be photoactive and capable of facilitating contrathermodynamic styrenoid E/Z isomerization.

Microwave-Assisted Synthesis and Molecular Docking Studies of Fluorinated 1,3,4-Oxadiazole Derivatives as Antimicrobial Agent

Abstract: A series of phenyl-5-(2,3,5,6-tetrafluoro-phenyl)-[1,3,4]-oxadiazole were prepared from 2,3,5,6-tetrafluoro-benzoic acid hydrazide by treatment with various substituted benzoic acid in the presence of phosphorus oxychloride using conventional as well as microwave-assisted methods. Evaluation of antibacterial activity of synthesized compound against S. aures, S. pyogenes, S. typhi and Pseudomonas species and antifungal activity against C. albicans and A. niger has been carried out. The compounds (Vb) and (Ve) showed significant activity against both bacteria and fungi. Some of the compounds has shown moderate activity against both the bacteria and fungi. The molecular docking studies also done which support the antimicrobial activity exhibited high inhibition constant and binding energy. The chemical structures of all the synthesized compounds were elucidated by their IR, 1H NMR and mass spectra.