2-tert-butyl-1-methyl-5-nitro-indole
[CAS# 952664-81-2]

Identification

• Name: 2-tert-butyl-1-methyl-5-nitro-indole
• Synonyms: 2-tert-butyl-1-methyl-5-nitro-1H-indole
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.28
• CAS Registry Number: 952664-81-2
• SMILES: CC(C)(C)c1cc2cc(ccc2n1C)[N+](=O)[O-]
• InChI: 1S/C13H16N2O2/c1-13(2,3)12-8-9-7-10(15(16)17)5-6-11(9)14(12)4/h5-8H,1-4H3
• InChIKey: VRGAZLNXPPQBNH-UHFFFAOYSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 369.788°C at 760 mmHg (Cal.)
• Flash point: 177.442°C (Cal.)
• Refractive index: 1.572 (Cal.)