Ethyl 6-Methoxy-7-Methyl-6H-[1,2,5]Oxadiazolo[3,4-e]Indole-8-Carboxylate 3-Oxide
[CAS# 257869-86-6]

Identification

• Name: Ethyl 6-Methoxy-7-Methyl-6H-[1,2,5]Oxadiazolo[3,4-e]Indole-8-Carboxylate 3-Oxide
• Synonyms: 8-Ethoxycarbonyl-6-methoxy-7-methylpyrrolo[2,3-e]benzofurazan-3-oxide; BAS 00318781; MLS000532366
• Molecular Formula: C₁₃H₁₃N₃O₅
• Molecular Weight: 291.26
• CAS Registry Number: 257869-86-6
• SMILES: CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])OC)C
• InChI: 1S/C13H13N3O5/c1-4-20-13(17)10-7(2)15(19-3)8-5-6-9-12(11(8)10)14-21-16(9)18/h5-6H,4H2,1-3H3
• InChIKey: DTAHSBIFEDADHA-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 451.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 227.0±31.5°C (Cal.)
• Refractive index: 1.653 (Cal.)