PYRROLE-2-CARBONITRILE
- CAS NO.：4513-94-4
- Empirical Formula: C5H4N2
- Molecular Weight: 92.1
- MDL number: MFCD00234061
- EINECS: 627-592-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:26:27
What is PYRROLE-2-CARBONITRILE?
Chemical properties
clear yellow to orange liquid
The Uses of PYRROLE-2-CARBONITRILE
Pyrrole-2-carbonitrile is a reagent that is used to prepare heteroaryl-azabicycloheptane which is a new class of triple re-uptake inhibitors.
Synthesis Reference(s)
Canadian Journal of Chemistry, 59, p. 2673, 1981 DOI: 10.1139/v81-384
Tetrahedron, 39, p. 3881, 1983 DOI: 10.1016/S0040-4020(01)90890-7
General Description
Product is a liquid and not a solid
Properties of PYRROLE-2-CARBONITRILE
| Boiling point: | 92-94 °C/2 mmHg |
| Density | 1.081 g/mL at 25 °C |
| refractive index | 1.5475-1.5505 |
| Flash point: | 92-94°C/2mm |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| solubility | Miscible with benzene, dichloromethane, tertrahydrofuran, dimethylformamide and acetonitrile. |
| form | Liquid |
| pka | 14.18±0.50(Predicted) |
| color | Clear yellow to orange |
| Sensitive | Air & Light Sensitive |
| BRN | 107047 |
| InChI | InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7H |
| CAS DataBase Reference | 4513-94-4(CAS DataBase Reference) |
Safety information for PYRROLE-2-CARBONITRILE
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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 PYRROLE-2-CARBONITRILE
| InChIKey | BQMPGKPTOHKYHS-UHFFFAOYSA-N |
| SMILES | N1C=CC=C1C#N |
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