2-Methyl-2-propanyl 3-bromo-5-nitro-1H-indole-1-carboxylate
[CAS# 914349-31-8]

Identification

• Name: 2-Methyl-2-propanyl 3-bromo-5-nitro-1H-indole-1-carboxylate
• Synonyms: 3-Bromo-5-nitro-1H-indole, N-BOC protected 98%; 3-BROMO-5-NITROINDOLE, N-BOC PROTECTED; 3-Bromo-5-nitroindole-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₃H₁₃BrN₂O₄
• Molecular Weight: 341.16
• CAS Registry Number: 914349-31-8
• SMILES: CC(C)(C)OC(=O)n1cc(c2c1ccc(c2)N(=O)=O)Br
• InChI: 1S/C13H13BrN2O4/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: JJARBZJMYYOONY-UHFFFAOYSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 441.601°C at 760 mmHg (Cal.)
• Flash point: 220.873°C (Cal.)
• Refractive index: 1.614 (Cal.)

Safety Data

• Safety Description: Irritant