1-(3,5-Dimethyl-1H-Pyrrol-2-Yl)-1,3-Butanedione
[CAS# 22511-75-7]

Identification

• Name: 1-(3,5-Dimethyl-1H-Pyrrol-2-Yl)-1,3-Butanedione
• Synonyms: 1-(3,5-dimethyl-1H-pyrrol-2-yl)butane-1,3-dione
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.22
• CAS Registry Number: 22511-75-7
• SMILES: Cc1cc([nH]c1C(=O)CC(=O)C)C
• InChI: 1S/C10H13NO2/c1-6-4-7(2)11-10(6)9(13)5-8(3)12/h4,11H,5H2,1-3H3
• InChIKey: PIBXYFOFERHYQW-UHFFFAOYSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 322.877°C at 760 mmHg (Cal.)
• Flash point: 153.483°C (Cal.)
• Refractive index: 1.525 (Cal.)