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5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile Structure
CAS No.
1240948-77-9
Chemical Name:
5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
Synonyms
Vonoprazan-4;Vonoprazan-027;TAK438 Impurity 19;VonoprazanImpurity74;Vonolazan impurity 4;Vonoprazan Impuirty 64;Vonoprazan Impurity 06;Vonoprazan Fumarate impurity B;Voronozan initiator 1 impurity J;Vonoprazan impurity SM2-I: 3-nitrile
CBNumber:
CB82660381
Molecular Formula:
C11H7FN2
Molecular Weight:
186.19
MOL File:
1240948-77-9.mol
MSDS File:
SDS
Modify Date:
2024/3/26 15:02:14

5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile Properties

Boiling point 364.7±32.0 °C(Predicted)
Density 1.28±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
pka 13.87±0.50(Predicted)
form Solid
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

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
HS Code  2933998090

5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile Chemical Properties,Uses,Production

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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5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile TAK-438( Vonoprazan fumarate) intermediate 2 1H-Pyrrole-3-carbonitrile,5-(2-fluorophenyl)- Vonoprazan Fumarate impurity B TAK438 Impurity 19 Vonoprazan impurity 32/5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile Vonoprazan impurity SM2-I: 3-nitrile Vonoprazan-4 Vonoprazan Impuirty 64 Voronazan Fumarate Starter 1 Impurity J Voronozan initiator 1 impurity J Vonoprazan-027 6,6-dimethyl-2-ene-4-alkyne chloroheptane 5-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile (Vonoprazan Impurity) VonoprazanImpurity74 Vonolazan impurity 4 Vonoprazan Impurity 06 1240948-77-9 1240948-77-4 1240948-77-8 1240948-77-9