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63131-29-3

63131-29-3 Structure

63131-29-3 Structure
IdentificationMore
[Name]

METHYL 4-FLUOROBENZOYLACETATE
[CAS]

63131-29-3
[Synonyms]

3-(4-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
4-FLUOROBENZOYLACETIC ACID METHYL ESTER
METHYL 3-(4-FLUOROPHENYL)-3-OXOPROPIONATE
METHYL 4-FLUOROBENZOYLACETATE
Methyl4-fluorobenzoylacetate,95%
3-(4-fluorophenyl)-3-oxopropionic aicd methyl ester
Methyl p-fluorobenzoylacetate, 99%
3-(p-Fluorophenyl)-3-oxopropionic acid methyl ester
3-Oxo-3-(4-fluorophenyl)propanoic acid methyl ester
3-Oxo-3-(4-fluorophenyl)propionic acid methyl ester
β-Oxo-4-fluorobenzenepropionic acid methyl ester
[EINECS(EC#)]

263-889-6
[Molecular Formula]

C10H9FO3
[MDL Number]

MFCD00000355
[Molecular Weight]

196.18
[MOL File]

63131-29-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Boiling point ]

91°C/5mm
[density ]

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

n20/D 1.521(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

9.80±0.25(Predicted)
[color ]

Clear colorless to dark yellow
[BRN ]

3050469
[InChI]

1S/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
[InChIKey]

HGLVYXXPRSNKQN-UHFFFAOYSA-N
[SMILES]

COC(=O)CC(=O)c1ccc(F)cc1
[CAS DataBase Reference]

63131-29-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P280
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29183000
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

Methyl 4-fluorobenzoylacetate was used in the synthesis of:
  • 3-amino-4-(-4-fluoro-phenyl)furazan
  • series of substituted coumarin derivatives, potential 5-lipoxygenase inhibitors
[Synthesis]

Anhydrous tetrahydrofuran (540 mL), dimethyl carbonate (235.2 g, 2.61 mol) and sodium hydrogen (130.5 g, 3.263 mol, 60%) were added to a dry reaction flask then the mixture was heated to reflux, and a solution of anhydrous tetrahydrofuran (180 mL) of p

Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 4-FLUOROBENZOYLACETATE(63131-29-3)MS
METHYL 4-FLUOROBENZOYLACETATE(63131-29-3)1HNMR
METHYL 4-FLUOROBENZOYLACETATE(63131-29-3)13CNMR
METHYL 4-FLUOROBENZOYLACETATE(63131-29-3)IR1
METHYL 4-FLUOROBENZOYLACETATE(63131-29-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 4-fluorobenzoylacetate, 99%(63131-29-3)
[Alfa Aesar]

Methyl 4-fluorobenzoylacetate, 95%(63131-29-3)
[Sigma Aldrich]

63131-29-3(sigmaaldrich)
[TCI AMERICA]

Methyl 4-Fluorobenzoylacetate,>98.0%(GC)(63131-29-3)
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