ChemicalBook--->CAS DataBase List--->114435-02-8

114435-02-8

114435-02-8 Structure

114435-02-8 Structure
IdentificationMore
[Name]

4-Fluoro-1,3-dioxolan-2-one
[CAS]

114435-02-8
[Synonyms]

4-FLUORO-1,3-DIOXOLAN-2-ONE
FLUOROETHYLENE CARBONATE
4-Fluoroethylene carbonate
FLUOROETHYLENE CARBONATE (FEC)
4-FLUORO-1,3-DIOXALAN-2-ONE
[EINECS(EC#)]

483-360-5
[Molecular Formula]

C3H3FO3
[MDL Number]

MFCD06247543
[Molecular Weight]

106.05
[MOL File]

114435-02-8.mol
Chemical PropertiesBack Directory
[Melting point ]

18-23 °C
[Boiling point ]

212℃
[density ]

1.454
[vapor pressure ]

51Pa at 25℃
[refractive index ]

1.3960 to 1.4000
[Fp ]

>102°(216°F)
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Colorless
[Water Solubility ]

Slightly miscible with water.
[InChI]

InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2
[InChIKey]

SBLRHMKNNHXPHG-UHFFFAOYSA-N
[SMILES]

O1CC(F)OC1=O
[LogP]

-0.435 at 20.1℃
[CAS DataBase Reference]

114435-02-8(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Dioxolan-2-one, 4-fluoro- (114435-02-8)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/38-43-48/22
[Safety Statements ]

26-36/37
[WGK Germany ]

1
[TSCA ]

Yes
[HS Code ]

29329990
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

4-Fluoro-1,3-dioxolan-2-one is used as an electrolyte additive in lithium ion batteries. It also enables the formation of thin, smooth and stable passive solid electrolyte interphase (SEI) layer, which increases the cycling efficiency and discharge capacity retention of the secondary battery. Further, it is used as an intermediate in organic synthesis.
[Preparation]

The preparation of Fluoroethylene carbonate is as follows:Add 114g of liquid ethylene carbonate at 50, 1.14g of palladium acetate (II) and 114g of dry acetonitrile (water 100ppm) to a 500ml Monel reactor containing the monophenyl iodine difluoride prepared in step (1) , Stir at 50°C for 0.5h, raise the temperature to 70°C and react for 5h (the molar ratio of ethylene carbonate to hydrogen fluoride in step (1) is 1.1:2.5, the molar ratio of ethylene carbonate to acetonitrile is 1.1:2.8, palladium acetate (II) The dosage is 1.0% of the mass of ethylene carbonate). The tail gas during the reaction was absorbed by potassium hydroxide solution with a mass fraction of 10%. After the reaction, vacuum distillation was carried out under the condition of 3mmHg. The 65-71°C fraction was collected to obtain 103.3g of fluoroethylene carbonate with a GC content of 99.3%. The yield of FEC was 75%.
[General Description]

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[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Fluoroethylene carbonate(114435-02-8)FT-IR
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