2-Methyl-2-Propanyl 2-Chloro-3-Formyl-1H-Indole-1-Carboxylate
[CAS# 180922-71-8]

Identification

• Name: 2-Methyl-2-Propanyl 2-Chloro-3-Formyl-1H-Indole-1-Carboxylate
• Synonyms: 1-Boc-2-Chloro-3-formyl-indole; 2-Chloro-3-formyl-indole-1-carboxylic acid tert-butyl ester; NSC722429
• Molecular Formula: C₁₄H₁₄ClNO₃
• Molecular Weight: 279.72
• CAS Registry Number: 180922-71-8
• SMILES: CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C=O
• InChI: 1S/C14H14ClNO3/c1-14(2,3)19-13(18)16-11-7-5-4-6-9(11)10(8-17)12(16)15/h4-8H,1-3H3
• InChIKey: FXGYYINAPYFDDP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 404.0±48.0°C at 760 mmHg (Cal.)
• Flash point: 198.1±29.6°C (Cal.)
• Refractive index: 1.568 (Cal.)