ChemicalBook--->CAS DataBase List--->582-65-0

582-65-0

582-65-0 Structure

582-65-0 Structure
IdentificationBack Directory
[Name]

4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE
[CAS]

582-65-0
[Synonyms]

Albb-006419
AKOS B007342
AKOS MSC-0333
butane-1,3-dione
ART-CHEM-BB B007342
Mavacoxib Intermediate 1
4,4,4-Trifluoro-1-(4-fluorophenyl)
3-(4-FLUOROBENZOYL)-1,1,1-TRIFLUOROACETONE
3-(4-Fluorobenzoyl)-1,1,1-trifluoroacetone,97%
4,4,4-Trifluoro-1-(4-fluoro-phenyl)-butane-1,3-
4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)-1,3-BUTANEDIONE
4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE
2,2,2-Trifluoro-1-(2-fluoro-6-iodo-phenyl)-ethanone
1,3-Butanedione, 4,4,4-trifluoro-1-(4-fluorophenyl)-
[Molecular Formula]

C10H6F4O2
[MDL Number]

MFCD03419766
[MOL File]

582-65-0.mol
[Molecular Weight]

234.15
Chemical PropertiesBack Directory
[Melting point ]

40-42°C
[Boiling point ]

257.0±35.0 °C(Predicted)
[density ]

1.363±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

5.61±0.25(Predicted)
[color ]

White
[InChI]

1S/C10H6F4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
[InChIKey]

KEZLARPKXOHKJS-UHFFFAOYSA-N
[SMILES]

O=C(CC(C(C=C1)=CC=C1F)=O)C(F)(F)F
[CAS DataBase Reference]

582-65-0
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2914790090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dioneis an intermediate in the synthesis of Mavacoxib (M197900) which is a long-acting COX-2 Inhibitor and is developed as a veterinary drug used to treat pain and inflammation with degenerative joint disease for dogs.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE(582-65-0)1HNMR
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