2-Methyl-2-Propanyl 5-(Chlorocarbonyl)-1H-Indole-1-Carboxylate
[CAS 161397-68-8]

Identification

• Name: 2-Methyl-2-Propanyl 5-(Chlorocarbonyl)-1H-Indole-1-Carboxylate
• Synonyms: 1-Boc-1H-indole-5-carbonyl chloride; 1-Boc-Indole-5-carbonyl chloride; 1H-Indole-1-carboxylic acid, 5-(chlorocarbonyl)-, 1,1-dimethylethyl ester
• Molecular Formula: C₁₄H₁₄ClNO₃
• Molecular Weight: 279.72
• CAS Registry Number: 161397-68-8
• SMILES: CC(C)(C)OC(=O)n1ccc2c1ccc(c2)C(=O)Cl
• InChI: 1S/C14H14ClNO3/c1-14(2,3)19-13(18)16-7-6-9-8-10(12(15)17)4-5-11(9)16/h4-8H,1-3H3
• InChIKey: RCDXINCCHCPXKQ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 388.7±34.0°C at 760 mmHg (Cal.)
• Flash point: 188.9±25.7°C (Cal.)
• Refractive index: 1.568 (Cal.)