2-tert-butyl-5-nitro-1H-indole-7-carbonitrile
[CAS# 952664-97-0]

Identification

• Name: 2-tert-butyl-5-nitro-1H-indole-7-carbonitrile
• Synonyms: 2-tert-butyl-5-nitro-1H-indole-7-carbonitrile
• Molecular Formula: C₁₃H₁₃N₃O₂
• Molecular Weight: 243.26
• CAS Registry Number: 952664-97-0
• SMILES: CC(C)(C)c1cc2cc(cc(c2[nH]1)C#N)[N+](=O)[O-]
• InChI: 1S/C13H13N3O2/c1-13(2,3)11-6-8-4-10(16(17)18)5-9(7-14)12(8)15-11/h4-6,15H,1-3H3
• InChIKey: BSJQIBDHKIHBHB-UHFFFAOYSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 423.268°C at 760 mmHg (Cal.)
• Flash point: 209.785°C (Cal.)
• Refractive index: 1.622 (Cal.)