5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
- CAS NO.：1240948-77-9
- Empirical Formula: C11H7FN2
- Molecular Weight: 186.19
- MDL number: MFCD24619247
- EINECS: 809-912-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-26 15:02:14
What is 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile?
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.
The Uses of 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
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.
Properties of 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
| 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 |
Safety information for 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
| InChIKey | ZDEFHFJZEDEKJO-UHFFFAOYSA-N |
| SMILES | N1C(C2=CC=CC=C2F)=CC(C#N)=C1 |
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