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1391052-53-1

1391052-53-1 Structure

1391052-53-1 Structure
IdentificationBack Directory
[Name]

4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-fluorophenyl)-1-butanone
[CAS]

1391052-53-1
[Synonyms]

Haloperidol EP Impurity B
Haloperidol EP impuritiesB
4-Defluoro-2-fluoro Haloperidol
Haloperidol Impurity 2(Haloperidol EP Impurity B)
4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-fluorophenyl)-1-butanone
4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(2-fluorophenyl)butan-1-one
1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-fluorophenyl)-
[Molecular Formula]

C21H23ClFNO2
[MDL Number]

MFCD27966172
[MOL File]

1391052-53-1.mol
[Molecular Weight]

375.86
Chemical PropertiesBack Directory
[Melting point ]

106 - 108°C
[Boiling point ]

529.0±50.0 °C(Predicted)
[density ]

1.239±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.86±0.20(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical
[InChI]

1S/C21H23ClFNO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2
[InChIKey]

URVMQMKGIVIILI-UHFFFAOYSA-N
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-Defluoro-2-fluoro Haloperidol is a positional isomer and impurity of the antipsychotic agent Haloperidol (H103700).
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