SODIUM 2,6-DIFLUOROBENZOATE Chemical Properties

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

InChI

InChI=1S/C7H4F2O2.Na/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1

InChIKey

NSAGNHHXPUCREY-UHFFFAOYSA-M

SMILES

C1(C([O-])=O)=C(F)C=CC=C1F.[Na+]

EPA Substance Registry System

Benzoic acid, 2,6-difluoro-, sodium salt (1:1) (6185-28-0)

Safety Information

Hazard Codes 

Xi

Hazard Note 

Irritant

SODIUM 2,6-DIFLUOROBENZOATE Usage And Synthesis

Synthesis

Procedure for the synthesis of sodium 2,6-difluorobenzoate: To a mixed solution of ethanol and water (5:1, 60 mL, v/v) containing 2,6-difluorobenzoic acid (1.00 g, 6.3 mmol) was added aqueous 1N sodium hydroxide (6.33 mL, 6.3 mmol) dropwise. The reaction mixture was stirred at room temperature for 10 min and then the solvent was removed by distillation under reduced pressure to afford sodium 2,6-difluorobenzoate (1.22 g, 6.3 mmol, 100% yield) as an off-white solid. Its 1H NMR (DMSO-d6) data were as follows: δ 6.69 (2H, multiple peaks), 7.15 (1H, multiple peaks).

References

[1] Patent: WO2008/139161, 2008, A1. Location in patent: Page/Page column 89

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