5-Bromobenzo[d]Isoxazol-3-One
[CAS# 65685-50-9]

Identification

• Name: 5-Bromobenzo[d]Isoxazol-3-One
• Synonyms: 5-Bromoindoxazen-3-One; 1,2-Benzisoxazol-3(2H)-One, 5-Bromo-; 5-Bromo-1,2-Benzisoxazol-3(2H)-One
• Molecular Formula: C₇H₄BrNO₂
• Molecular Weight: 214.02
• CAS Registry Number: 65685-50-9
• SMILES: C1=C(C=CC2=C1C(NO2)=O)Br
• InChI: 1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
• InChIKey: XLPXBJYNYXPQAO-UHFFFAOYSA-N

Properties

• Density: 1.809g/cm³ (Cal.)
• Boiling point: 360.6°C at 760 mmHg (Cal.)
• Flash point: 171.9°C (Cal.)