Methyl 3-amino-4-methoxy-4-nitro-2,5-cyclohexadiene-1-carboxylate
[CAS# 79893-21-3]

Identification

• Name: Methyl 3-amino-4-methoxy-4-nitro-2,5-cyclohexadiene-1-carboxylate
• Synonyms: methyl 5-amino-4-nitro-anisate
• Molecular Formula: C₉H₁₂N₂O₅
• Molecular Weight: 228.20
• CAS Registry Number: 79893-21-3
• EINECS: 279-335-1
• SMILES: COC1(C=CC(C=C1N)C(=O)OC)[N+]([O-])=O
• InChI: 1S/C9H12N2O5/c1-15-8(12)6-3-4-9(16-2,11(13)14)7(10)5-6/h3-6H,10H2,1-2H3
• InChIKey: DLHJAOMLDJUIBR-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 376.926°C at 760 mmHg (Cal.)
• Flash point: 181.759°C (Cal.)