Methyl 2,2,3-trifluoro-3-oxopropanoate

HCID 93396

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Basic information

CAS: 69116-71-8
Standard SMILES: COC(=O)C(F)(F)C(=O)F
InChIKey: JNUANKSYWLJTDJ-UHFFFAOYSA-N
Molecular formula: C4H3F3O3
Average molar mass: 156.06 g/mol
Monoisotopic mass: 156.00342862

Names & identifiers

Preferred name: Methyl 2,2,3-trifluoro-3-oxopropanoate
IUPAC: methyl 2,2,3-trifluoro-3-oxopropanoate
English name: Methyl 2-(fluoroformyl)difluoroacetate
Molecular formula: C4H3F3O3
Molecular weight: 156.06

Names & synonyms

Methyl 2,2,3-trifluoro-3-oxopropanoate69116-71-8Methyl 2,2-difluromalonyl fluorideDTXSID80524372,2,3-trifluoro-3-oxopropanoic acid methy esterRefChem:157195DTXCID801513901Methyl 2-(fluoroformyl)difluoroacetateMethyl fluoroformyl-2,2-difluoroacetateMethyl 2,2,3-trifluoro-3-oxopropionateMFCD01697376BRN 2042626

Show more names

METHYL2,2-DIFLUOROMALONYLFLUORIDEMethyl fluoroformyldifluoroacetateDifluoro(fluoroformyl)acetic acid methyl ester2,2,3-Trifluoro-3-oxopropanoic acid methyl ester

Propanoic acid, 2,2,3-trifluoro-3-oxo-, methyl esterSCHEMBL92058methyl difluorofluoroformylacetateAKOS006279851Methyl 2,2,3-trifluoro-3-oxopropanpatemethyl 2,2,3-trifluoro-3-oxo-propanoate

Database identifiers

CAS: 69116-71-8
PubChem CID: 93396
DTXSID: DTXSID8052437
Nikkaji: J195.955G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 165

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 122 · 122.0±40.0 °C(Predicted)
Density: 1.4719 · 1.4719 (estimate)
EPA Substance Registry System: 2 · Methyl 2,2,3-trifluoro-3-oxopropionate (69116-71-8)
TSCA: TSCA listed

Safety & regulation

Hazard information

Regulatory Information · 1 item

Propanoic acid, 2,2,3-trifluoro-3-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2,2,3-trifluoro-3-oxo-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)