ChemicalBook--->CAS DataBase List--->16499-57-3

16499-57-3

16499-57-3 Structure

16499-57-3 Structure
IdentificationMore
[Name]

7-Fluoro-4-quinazolone
[CAS]

16499-57-3
[Synonyms]

7-FLUOROQUINAZOLIN-4-OL
BUTTPARK 76\07-32
[Molecular Formula]

C8H5FN2O
[MDL Number]

MFCD05664874
[Molecular Weight]

164.14
[MOL File]

16499-57-3.mol
Chemical PropertiesBack Directory
[Melting point ]

246.0 to 250.0 °C
[Boiling point ]

293.3±42.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

0.51±0.20(Predicted)
[color ]

White to Gray to Red
[InChI]

InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
[InChIKey]

KCORZHJVTZIZFD-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(F)=C2)C(=O)NC=1
[CAS DataBase Reference]

16499-57-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

7-Fluoro-4-quinazolone is a fluorinated quinazolin-4(3H)-one with poly(ADP-ribose)polymerase-1 (PARP-1) inhibitory activity.It is also used as an intermediate in the preparation of the aurora kinase inhibitor AZD1152 (A808100).
Spectrum DetailBack Directory
[Spectrum Detail]

7-Fluoro-4-quinazolone(16499-57-3)1HNMR
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