3-methyl-4-nitro-5-[(E)-2-(1H-pyrrol-2-yl)vinyl]isoxazole
[CAS# 835898-34-5]

Identification

• Name: 3-methyl-4-nitro-5-[(E)-2-(1H-pyrrol-2-yl)vinyl]isoxazole
• Synonyms: (E)-5-(2-(1H-pyrrol-2-yl)vinyl)-3-methyl-4-nitroisoxazole; 3-methyl-4-nitro-5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole
• Molecular Formula: C₁₀H₉N₃O₃
• Molecular Weight: 219.20
• CAS Registry Number: 835898-34-5
• SMILES: O=[N+]([O-])c2c(/C=C/c1cccn1)onc2C
• InChI: 1S/C10H9N3O3/c1-7-10(13(14)15)9(16-12-7)5-4-8-3-2-6-11-8/h2-6,11H,1H3/b5-4+
• InChIKey: JBLGCZUINOGJHB-SNAWJCMRSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 446.251°C at 760 mmHg (Cal.)
• Flash point: 223.685°C (Cal.)
• Refractive index: 1.698 (Cal.)