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ChemicalBook--->CAS DataBase List--->1021298-68-9

1021298-68-9

1021298-68-9 Structure

1021298-68-9 Structure
IdentificationBack Directory
[Name]

2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile
[CAS]

1021298-68-9
[Synonyms]

2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile
2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile
2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzonitrile
5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzonitrile
Benzonitrile, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-
[Molecular Formula]

C16H10FN3O
[MDL Number]

MFCD28133450
[MOL File]

1021298-68-9.mol
[Molecular Weight]

279.269
Questions And AnswerBack Directory
[Uses]

2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile is an intermediate used in the synthesis of phthalazinone scaffolds that are potent inhibitors of poly(ADP-ribose) polymerase,
Chemical PropertiesBack Directory
[density ]

1.32±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

12.03±0.40(Predicted)
[InChI]

InChI=1S/C16H10FN3O/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(21)20-19-15/h1-7H,8H2,(H,20,21)
[InChIKey]

LCPWJQRZOHAMOZ-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(CC2C3=C(C=CC=C3)C(=O)NN=2)=CC=C1F
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2933998090
Hazard InformationBack Directory
[Description]

2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile belongs to heterocyclic derivatives and can be used as pharmaceutical intermediates.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile(1021298-68-9)1HNMR
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