6-Bromo-3-Butanoylchromen-2-One
[CAS# 2199-83-9]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyran compound
• Name: 6-Bromo-3-Butanoylchromen-2-One
• Synonyms: 6-Bromo-3-Butanoyl-Chromen-2-One; 6-Bromo-3-(1-Oxobutyl)-2-Chromenone; 6-Bromo-3-Butyryl-Coumarin
• Molecular Formula: C₁₃H₁₁BrO₃
• Molecular Weight: 295.13
• CAS Registry Number: 2199-83-9
• SMILES: C1=C(Br)C=CC2=C1C=C(C(CCC)=O)C(O2)=O
• InChI: 1S/C13H11BrO3/c1-2-3-11(15)10-7-8-6-9(14)4-5-12(8)17-13(10)16/h4-7H,2-3H2,1H3
• InChIKey: RDBKKAPCFCJFND-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 163-165°C (Expl.)
• Boiling point: 452.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 227.5±28.7°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin