5-Nitro-3-Carboxybenzisoxazole
[CAS# 28691-51-2]

Identification

• Name: 5-Nitro-3-Carboxybenzisoxazole
• Synonyms: 5-Nitroindoxazene-3-Carboxylic Acid; 1,2-Benzisoxazole-3-Carboxylic Acid, 5-Nitro-; 5-Nitro-3-Carboxybenzisoxazole
• Molecular Formula: C₈H₄N₂O₅
• Molecular Weight: 208.13
• CAS Registry Number: 28691-51-2
• SMILES: C2=C1ON=C(C(O)=O)C1=CC(=C2)[N+]([O-])=O
• InChI: 1S/C8H4N2O5/c11-8(12)7-5-3-4(10(13)14)1-2-6(5)15-9-7/h1-3H,(H,11,12)
• InChIKey: QUPFSFMHDFHTFT-UHFFFAOYSA-N

Properties

• Density: 1.679g/cm³ (Cal.)
• Boiling point: 484.391°C at 760 mmHg (Cal.)
• Flash point: 246.751°C (Cal.)