2-Methyl-2-propanyl 3-iodo-5-nitro-1H-indole-1-carboxylate
[CAS# 914349-32-9]

Identification

• Name: 2-Methyl-2-propanyl 3-iodo-5-nitro-1H-indole-1-carboxylate
• Synonyms: 3-Iodo-5-nitro-1H-indole, N-BOC protected 98%; 3-Iodo-5-nitro-1H-indole-1-carboxylic acid tert-butyl ester; 3-Iodo-5-nitroindole, N-BOC protected
• Molecular Formula: C₁₃H₁₃IN₂O₄
• Molecular Weight: 388.16
• CAS Registry Number: 914349-32-9
• SMILES: CC(C)(C)OC(=O)n1cc(c2c1ccc(c2)[N+](=O)[O-])I
• InChI: 1S/C13H13IN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-6-8(16(18)19)4-5-11(9)15/h4-7H,1-3H3
• InChIKey: AHNPSRXYIVESJP-UHFFFAOYSA-N

Properties

• Density: 1.724g/cm³ (Cal.)
• Boiling point: 460.791°C at 760 mmHg (Cal.)
• Flash point: 232.478°C (Cal.)
• Refractive index: 1.647 (Cal.)

Safety Data

• Safety Description: IRRITANT