5-Chloro-1-(4-fluoro-3-methylphenyl)-1-pentanone
[CAS# 898761-06-3]

Identification

• Name: 5-Chloro-1-(4-fluoro-3-methylphenyl)-1-pentanone
• Synonyms: 5-chloro-1-(4-fluoro-3-methylphenyl)-1-oxopentane
• Molecular Formula: C₁₂H₁₄ClFO
• Molecular Weight: 228.69
• CAS Registry Number: 898761-06-3
• SMILES: Cc1cc(ccc1F)C(=O)CCCCCl
• InChI: 1S/C12H14ClFO/c1-9-8-10(5-6-11(9)14)12(15)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3
• InChIKey: WKGWNOVXFVNEJY-UHFFFAOYSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 338.393°C at 760 mmHg (Cal.)
• Flash point: 158.454°C (Cal.)
• Refractive index: 1.503 (Cal.)