3-Isocyanato-1-methyl-1H-pyrrole
[CAS# 785781-43-3]

Identification

• Name: 3-Isocyanato-1-methyl-1H-pyrrole
• Synonyms: 1H-Pyrrole,3-isocyanato-1-methyl-
• Molecular Formula: C₆H₆N₂O
• Molecular Weight: 122.12
• CAS Registry Number: 785781-43-3
• SMILES: Cn1ccc(c1)N=C=O
• InChI: 1S/C6H6N2O/c1-8-3-2-6(4-8)7-5-9/h2-4H,1H3
• InChIKey: NCOVIAWKUZXKQW-UHFFFAOYSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 174.563°C at 760 mmHg (Cal.)
• Flash point: 59.374°C (Cal.)
• Refractive index: 1.542 (Cal.)