2-Bromo-1-(4-isobutylphenyl)-1-propanone
[CAS# 77565-38-9]

Identification

• Name: 2-Bromo-1-(4-isobutylphenyl)-1-propanone
• Synonyms: 2-Bromo-1-(4-isobutylphenyl)-1-propanone; 2-bromo-1-[4-(2-methylpropyl)phenyl]propan-1-one; 2-Bromo-4'-(2-methylprop-1-yl)propiophenone
• Molecular Formula: C₁₃H₁₇BrO
• Molecular Weight: 269.18
• CAS Registry Number: 77565-38-9
• SMILES: BrC(C(=O)c1ccc(cc1)CC(C)C)C
• InChI: 1S/C13H17BrO/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10H,8H2,1-3H3
• InChIKey: SVGMFVCPJFHTRE-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Melting point: 60-62°C (Expl.)
• Boiling point: 324.234°C at 760 mmHg (Cal.)
• Flash point: 27.211°C (Cal.)

Safety Data

• Safety Description: IRRITANT