1-(4-Bromo-3-methylphenyl)-5-chloro-1-pentanone
[CAS# 898760-94-6]

Identification

• Name: 1-(4-Bromo-3-methylphenyl)-5-chloro-1-pentanone
• Synonyms: 1-(4-bromo-3-methylphenyl)-5-chloro-1-oxopentane
• Molecular Formula: C₁₂H₁₄BrClO
• Molecular Weight: 289.60
• CAS Registry Number: 898760-94-6
• SMILES: Cc1cc(ccc1Br)C(=O)CCCCCl
• InChI: 1S/C12H14BrClO/c1-9-8-10(5-6-11(9)13)12(15)4-2-3-7-14/h5-6,8H,2-4,7H2,1H3
• InChIKey: RORYZXLFCFOOMQ-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 385.153°C at 760 mmHg (Cal.)
• Flash point: 186.734°C (Cal.)
• Refractive index: 1.542 (Cal.)