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1039741-54-2

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1039741-54-2 Structure

1039741-54-2 Structure
IdentificationBack Directory
[Name]

1-Benzyl-3,3-difluoropiperidin-4-one
[CAS]

1039741-54-2
[Synonyms]

1-Benzyl-3,3-difluoro-4-oxopiperidine
4-Piperidinone, 3,3-difluoro-1-(phenylmethyl)-
1-benzyl-3,3-difluoropiperidin-4-one hydrochloride
[Molecular Formula]

C12H13F2NO
[MDL Number]

MFCD15526740
[MOL File]

1039741-54-2.mol
[Molecular Weight]

225.23
Chemical PropertiesBack Directory
[Boiling point ]

291.0±40.0 °C(Predicted)
[density ]

1.22±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

3.01±0.40(Predicted)
[InChI]

InChI=1S/C12H13F2NO/c13-12(14)9-15(7-6-11(12)16)8-10-4-2-1-3-5-10/h1-5H,6-9H2
[InChIKey]

CKCXYQKESZZOMW-UHFFFAOYSA-N
[SMILES]

N1(CC2=CC=CC=C2)CCC(=O)C(F)(F)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

1-Benzyl-3,3-difluoropiperidin-4-one(1039741-54-2)1HNMR
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