5-(4-Bromo-2-methylphenyl)-5-oxopentanoic acid
[CAS# 898767-31-2]

Identification

• Name: 5-(4-Bromo-2-methylphenyl)-5-oxopentanoic acid
• Synonyms: 5-(4-bromo-2-methylphenyl)-5-oxovaleric acid
• Molecular Formula: C₁₂H₁₃BrO₃
• Molecular Weight: 285.13
• CAS Registry Number: 898767-31-2
• SMILES: O=C(CCCC(O)=O)c1ccc(Br)cc1C
• InChI: 1S/C12H13BrO3/c1-8-7-9(13)5-6-10(8)11(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)
• InChIKey: CBJXKZBFCHORPZ-UHFFFAOYSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 453.445°C at 760 mmHg (Cal.)
• Flash point: 228.035°C (Cal.)
• Refractive index: 1.563 (Cal.)