3-Bromo-4-Oxo-4-Phenylbutanoic Acid
[CAS# 53515-22-3]

Identification

• Name: 3-Bromo-4-Oxo-4-Phenylbutanoic Acid
• Synonyms: (3S)-3-Bromo-4-Oxo-4-Phenyl-Butanoate; (3S)-3-Bromo-4-Keto-4-Phenyl-Butyrate; Zinc01730538
• Molecular Formula: C₁₀H₈BrO₃
• Molecular Weight: 256.08
• CAS Registry Number: 53515-22-3
• SMILES: [C@H](Br)(CC([O-])=O)C(=O)C1=CC=CC=C1
• InChI: 1S/C10H9BrO3/c11-8(6-9(12)13)10(14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/p-1/t8-/m0/s1
• InChIKey: VPUHMOLSUUYGEJ-QMMMGPOBSA-M

Properties

• Boiling point: 371.159°C at 760 mmHg (Cal.)
• Flash point: 178.271°C (Cal.)