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1522-41-4

1522-41-4 Structure

1522-41-4 Structure
IdentificationMore
[Name]

ETHYL 2-FLUOROACETOACETATE
[CAS]

1522-41-4
[Synonyms]

2-FLUORO-3-OXO-BUTANOIC ACID ETHYL ESTER
2-FLUORO-3-OXO-BUTYRIC ACID ETHYL ESTER
BUTYRIC ACID, 2-FLUORO-3-OXO-, ETHYL ESTER
ETHYL-2-FLUORO-3-OXOBUTANOATE
ETHYL 2-FLUORO-3-OXOBUTYRATE
ETHYL 2-FLUOROACETOACETATE
FLUOROACETOACETIC ACID ETHYL ESTER
2-Fluoroacetoacetic Acid Ethyl Ester
α-Fluoro-β-oxobutyric acid ethyl ester
Ethy 2-fluoroacetoacetate
[EINECS(EC#)]

629-671-3
[Molecular Formula]

C6H9FO3
[MDL Number]

MFCD00215830
[Molecular Weight]

148.13
[MOL File]

1522-41-4.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[Boiling point ]

183 °C (lit.)
[density ]

1.181 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.414(lit.)
[Fp ]

194 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

Liquid
[pka]

9.25±0.46(Predicted)
[color ]

Clear colorless to pale yellow
[InChI]

InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
[InChIKey]

SHTFQLHOTAJQRJ-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C(F)C(=O)C
[CAS DataBase Reference]

1522-41-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Inactive
[HS Code ]

29183000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Uses]

Reactant for:
  • Michael addition-induced cyclization reaction
  • Asymmetric Mannich reaction
  • Enantioselective organocatalytic conjugate addition
[Synthesis Reference(s)]

Tetrahedron, 54, p. 2867, 1998 DOI: 10.1016/S0040-4020(98)83023-8
[General Description]

Ethyl 2-fluoroacetoacetate is an α-fluorinated β-keto ester that can be prepared by the fluorination of ethyl acetoacetate.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 2-FLUOROACETOACETATE(1522-41-4)1HNMR
ETHYL 2-FLUOROACETOACETATE(1522-41-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 2-fluoroacetoacetate, 97%(1522-41-4)
[Sigma Aldrich]

1522-41-4(sigmaaldrich)
[TCI AMERICA]

Ethyl 2-Fluoroacetoacetate,>94.0%(GC)(1522-41-4)
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