Methyl 5-Nitro-3-Isoquinolinecarboxylate
[CAS# 581812-72-8]

Identification

• Name: Methyl 5-Nitro-3-Isoquinolinecarboxylate
• Synonyms: Methyl 5-nitro-3-isoquinolinecarboxylate
• Molecular Formula: C₁₁H₈N₂O₄
• Molecular Weight: 232.19
• CAS Registry Number: 581812-72-8
• SMILES: O=N(=O)c2cccc1cnc(cc12)C(=O)OC
• InChI: 1S/C11H8N2O4/c1-17-11(14)9-5-8-7(6-12-9)3-2-4-10(8)13(15)16/h2-6H,1H3
• InChIKey: BYMILMIMXOKQBF-UHFFFAOYSA-N

Properties

• Density: 1.394g/cm³ (Cal.)
• Boiling point: 422.328°C at 760 mmHg (Cal.)
• Flash point: 209.216°C (Cal.)
• Refractive index: 1.647 (Cal.)