ChemicalBook--->CAS DataBase List--->326-90-9

326-90-9

326-90-9 Structure

326-90-9 Structure
IdentificationMore
[Name]

4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE
[CAS]

326-90-9
[Synonyms]

1,3-Butanedione, 4,4,4-trifluoro-1-(2-furanyl)-
1,3-Butanedione, 4,4,4-trifluoro-1-(2-furyl)-
4,4,4-trifluoro-1-(2-furanyl)-3-butanedione
Furonyltrifluoroacetone
Furoyltrifluoroacetone
Perfluoroacetyl(2-furoyl)methane
Furoyltrifluoroacetone~1-(2-Furyl)-4,4,4-trifluoro-1,3-butanedione
4,4,4-Trifluoro-1-(2-furyl)butane-1,3-dione 99%
4,4,4-Trifluoro-1-(2-furyl)butane-1,3-dione99%
4,4,4-Trifluoromethyl-1-(2-furyl)-1,3-butandione, GC 99%
4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE 99%
1-(2-Furanyl)-4,4,4-trifluoro-1,3-butanedione
1-(2-Furyl)-4,4,4-trifluoro-1,3-butanedione
2-Furoyltrifluoroacetonee
4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione
[EINECS(EC#)]

206-315-1
[Molecular Formula]

C8H5F3O3
[MDL Number]

MFCD00020935
[Molecular Weight]

206.119
[MOL File]

326-90-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

19-21 °C(lit.)
[Boiling point ]

203 °C(lit.)
[density ]

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

n20/D 1.528(lit.)
[Fp ]

189 °F
[storage temp. ]

Refrigerator (+4°C)
[pka]

5.56±0.23(Predicted)
[BRN ]

168085
[InChIKey]

OWLPCALGCHDBCN-UHFFFAOYSA-N
[CAS DataBase Reference]

326-90-9(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Butanedione, 4,4,4-trifluoro-1-(2-furanyl)- (326-90-9)
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29321900
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione (tfa) may be used in the following studies:
  • As capping ligand in the synthesis of [Eu(tfa)3]2bpm complexes (bpm=2,2′-bipyrimidine).
  • As reagent in the multistep synthesis of [13CD2]benzylamine.
  • As reagent in the synthesis of 3-trifluoromethyl-2-arylcarbonylquinoxaline 1,4-di-N-oxide derivatives by reacting with corresponding benzofurazan oxides.
  • In the efficient syntheses of perfluoroalkyl substituted azoles.
  • Synthesis of 2-arylcarbonyl-3-trifluoromethylquinoxaline 1,4-di-N-oxide derivatives.
[General Description]

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione (furoyltrifluoroacetone, FTFA) is a β-diketone. Its cytotoxic activity against human cultured tumor and normal cells has been evaluated. Reports suggest that 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione partially inhibits the oxidation of ferrocyanide in ETP (electron transport particles) isolated from beef heart mitochondria. Its reaction with N,N,N′,N′-tetramethylalkyl diamines to form ionic adducts has been investigated. The conformational analysis of the enol and keto form of FTFA has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE(326-90-9)MS
4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE(326-90-9)1HNMR
4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE(326-90-9)13CNMR
4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE(326-90-9)IR1
4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE(326-90-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione, 99%(326-90-9)
[Alfa Aesar]

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione, 98%(326-90-9)
[Sigma Aldrich]

326-90-9(sigmaaldrich)
[TCI AMERICA]

2-Furoyltrifluoroacetone,>98.0%(GC)(326-90-9)
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