ChemicalBook--->CAS DataBase List--->6185-28-0

6185-28-0

6185-28-0 Structure

6185-28-0 Structure
IdentificationBack Directory
[Name]

SODIUM 2,6-DIFLUOROBENZOATE
[CAS]

6185-28-0
[Synonyms]

2,6-Difluorobenzoic acid sodium salt
Sodium2,6-difluoroBenzoate(solution)
Sodium 2,6-difluorobenzoate (10% solution)
[Molecular Formula]

C7H3F2NaO2
[MDL Number]

MFCD03094398
[MOL File]

6185-28-0.mol
[Molecular Weight]

180.084
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Synthesis]

2,6-Difluorobenzoic acid

385-00-2

SODIUM 2,6-DIFLUOROBENZOATE

6185-28-0

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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