1-(2-Chloro-4-pyridinyl)-3-methyl-1-butanone
[CAS# 898785-57-4]

Identification

• Name: 1-(2-Chloro-4-pyridinyl)-3-methyl-1-butanone
• Synonyms: 3-Chloro-4-pyridyl 2-methylpropyl ketone
• Molecular Formula: C₁₀H₁₂ClNO
• Molecular Weight: 197.66
• CAS Registry Number: 898785-57-4
• SMILES: O=C(CC(C)C)c1ccnc(Cl)c1
• InChI: 1S/C10H12ClNO/c1-7(2)5-9(13)8-3-4-12-10(11)6-8/h3-4,6-7H,5H2,1-2H3
• InChIKey: KBVKPIDUPAXUQD-UHFFFAOYSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 304.47°C at 760 mmHg (Cal.)
• Flash point: 137.939°C (Cal.)
• Refractive index: 1.515 (Cal.)