2-Chloro-1-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)ethanone
[CAS# 727705-98-8]

Identification

• Name: 2-Chloro-1-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)ethanone
• Synonyms: 2-Chloro-1-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-ethanone; MFCD04618251
• Molecular Formula: C₁₁H₁₆ClNO
• Molecular Weight: 213.70
• CAS Registry Number: 727705-98-8
• SMILES: ClCC(=O)c1c(n(c(c1)C)CCC)C
• InChI: 1S/C11H16ClNO/c1-4-5-13-8(2)6-10(9(13)3)11(14)7-12/h6H,4-5,7H2,1-3H3
• InChIKey: KJLXGGVVFXBMOK-UHFFFAOYSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 326.455°C at 760 mmHg (Cal.)
• Flash point: 151.235°C (Cal.)
• Refractive index: 1.52 (Cal.)