7-(4-Bromo-2-methylphenyl)-7-oxoheptanoic acid
[CAS# 898767-37-8]

Identification

• Name: 7-(4-Bromo-2-methylphenyl)-7-oxoheptanoic acid
• Synonyms: 7-(4-bromo-2-methylphenyl)-7-oxoheptanoic acid
• Molecular Formula: C₁₄H₁₇BrO₃
• Molecular Weight: 313.19
• CAS Registry Number: 898767-37-8
• SMILES: O=C(CCCCCC(O)=O)c1ccc(Br)cc1C
• InChI: 1S/C14H17BrO3/c1-10-9-11(15)7-8-12(10)13(16)5-3-2-4-6-14(17)18/h7-9H,2-6H2,1H3,(H,17,18)
• InChIKey: NWSIAXUGLJCTRU-UHFFFAOYSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 467.235°C at 760 mmHg (Cal.)
• Flash point: 236.376°C (Cal.)
• Refractive index: 1.55 (Cal.)