[1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-(trifluoromethyl)-1H-indol-2-yl]boronic acid
[CAS# 875558-27-3]

Identification

• Name: [1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-(trifluoromethyl)-1H-indol-2-yl]boronic acid
• Synonyms: (1-(tert-butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl)boronic acid; 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI); 1H-Indole-1-carboxylic acid,2-borono-6-(trifluoromethyl)-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₁₄H₁₅BF₃NO₄
• Molecular Weight: 329.08
• CAS Registry Number: 875558-27-3
• SMILES: B(c1cc2ccc(cc2n1C(=O)OC(C)(C)C)C(F)(F)F)(O)O
• InChI: 1S/C14H15BF3NO4/c1-13(2,3)23-12(20)19-10-7-9(14(16,17)18)5-4-8(10)6-11(19)15(21)22/h4-7,21-22H,1-3H3
• InChIKey: FXNZYZHHJULUHU-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 447.172°C at 760 mmHg (Cal.)
• Flash point: 224.242°C (Cal.)
• Refractive index: 1.505 (Cal.)