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ChemicalBook--->CAS DataBase List--->1240948-77-9

1240948-77-9

1240948-77-9 Structure

1240948-77-9 Structure
IdentificationBack Directory
[Name]

5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
[CAS]

1240948-77-9
[Synonyms]

Vonoprazan-4
Vonoprazan-027
TAK438 Impurity 19
Vonoprazan Impuirty 64
Vonoprazan Fumarate impurity B
Voronozan initiator 1 impurity J
Vonoprazan impurity SM2-I: 3-nitrile
Voronazan Fumarate Starter 1 Impurity J
5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
TAK-438( Vonoprazan fumarate) intermediate 2
1H-Pyrrole-3-carbonitrile,5-(2-fluorophenyl)-
Vonoprazan impurity 32/5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
[EINECS(EC#)]

809-912-0
[Molecular Formula]

C11H7FN2
[MDL Number]

MFCD24619247
[MOL File]

1240948-77-9.mol
[Molecular Weight]

186.19
Chemical PropertiesBack Directory
[Boiling point ]

364.7±32.0 °C(Predicted)
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

13.87±0.50(Predicted)
[Dielectric constant]

5.5(22.0℃)
[InChI]

InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H
[InChIKey]

ZDEFHFJZEDEKJO-UHFFFAOYSA-N
[SMILES]

N1C(C2=CC=CC=C2F)=CC(C#N)=C1
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]

5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile is an important pharmaceutical intermediate component for the preparation of vonorasan fumarate, vonoprazan key intermediate, and vorexanol fumarate intermediate.
[Uses]

5-?(2-Fluorophenyl)?-?1H-?pyrrole-?3-?carbonitrile is an impurity of Vonoprazan (V767010) a novel potassium-?competitive acid blocker for the treatment of acid-?related diseases.
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