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103146-26-5

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103146-26-5 Structure

103146-26-5 Structure
IdentificationMore
[Name]

4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
[CAS]

103146-26-5
[Synonyms]

4-[(4-DIMETHYLAMINO)-1-(4-FLUORO PHENYL)-1-HYDROXYBUTYL]-3-HYDROXY-METHYL BENZONITRILE HYDROBROMIDE
4-[4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL]-3-(HYDROXYMETHYL)-BENZONITRILE, MONOHYDROBROMIDE
4-[4-(Dimethylamino)-1-(4-Fluorophenyl)-1-HydroxyButyl]-3-(Hydroxymethyl)-Benzon
Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, monohydrobromide
[EINECS(EC#)]

600-398-1
[Molecular Formula]

C20H24BrFN2O2
[MDL Number]

MFCD08436978
[Molecular Weight]

423.32
[MOL File]

103146-26-5.mol
Chemical PropertiesBack Directory
[Melting point ]

201-205 °C(lit.)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

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

Solid
[color ]

White to Pale Beige
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C20H23FN2O2.BrH/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;/h4-9,12,24-25H,3,10-11,14H2,1-2H3;1H
[InChIKey]

RVGFHORHCHHPCZ-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(C(C2=CC=C(F)C=C2)(O)CCCN(C)C)C(CO)=C1.[H]Br
[CAS DataBase Reference]

103146-26-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

Citadiol Hydrobromide is a precursor of Citalopram (C505000), an antidepressant.
Spectrum DetailBack Directory
[Spectrum Detail]

4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide(103146-26-5)1HNMR
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