6-(4-Bromo-2-methylphenyl)-6-oxohexanoic acid
[CAS# 898767-34-5]

Identification

• Name: 6-(4-Bromo-2-methylphenyl)-6-oxohexanoic acid
• Synonyms: 6-(4-bromo-2-methylphenyl)-6-oxohexanoic acid
• Molecular Formula: C₁₃H₁₅BrO₃
• Molecular Weight: 299.16
• CAS Registry Number: 898767-34-5
• SMILES: O=C(CCCCC(O)=O)c1ccc(Br)cc1C
• InChI: 1S/C13H15BrO3/c1-9-8-10(14)6-7-11(9)12(15)4-2-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,16,17)
• InChIKey: PAWGPSUTOOCDQN-UHFFFAOYSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 458.481°C at 760 mmHg (Cal.)
• Flash point: 231.081°C (Cal.)
• Refractive index: 1.556 (Cal.)