3-Formyl-1-(2-Propyn-1-Yl)-1H-Pyrrole-2-Carbonitrile
[CAS# 104501-29-3]

Identification

• Name: 3-Formyl-1-(2-Propyn-1-Yl)-1H-Pyrrole-2-Carbonitrile
• Synonyms: 3-formyl-1-(prop-2-yn-1-yl)-1H-pyrrole-2-carbonitrile
• Molecular Formula: C₉H₆N₂O
• Molecular Weight: 158.16
• CAS Registry Number: 104501-29-3
• SMILES: C#CCn1ccc(C=O)c1C#N
• InChI: 1S/C9H6N2O/c1-2-4-11-5-3-8(7-12)9(11)6-10/h1,3,5,7H,4H2
• InChIKey: CJGIQBCUPKHVTQ-UHFFFAOYSA-N

Properties

• Density: 1.035g/cm³ (Cal.)
• Boiling point: 337.651°C at 760 mmHg (Cal.)
• Flash point: 158.006°C (Cal.)
• Refractive index: 1.54 (Cal.)