Methyl 1-[(4-methylphenyl)sulfonyl]-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
[CAS# 942206-37-3]

Identification

• Name: Methyl 1-[(4-methylphenyl)sulfonyl]-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[(4-methylphenyl)sulfonyl]-6-(trifluoromethyl)-,methyl ester; Methyl 6-(trifluoromethyl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
• Molecular Formula: C₁₇H₁₃F₃N₂O₄S
• Molecular Weight: 398.36
• CAS Registry Number: 942206-37-3
• SMILES: Cc1ccc(cc1)S(=O)(=O)n2cc(c3c2nc(cc3)C(F)(F)F)C(=O)OC
• InChI: 1S/C17H13F3N2O4S/c1-10-3-5-11(6-4-10)27(24,25)22-9-13(16(23)26-2)12-7-8-14(17(18,19)20)21-15(12)22/h3-9H,1-2H3
• InChIKey: XNYYXIVWMZUAPV-UHFFFAOYSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 512.757°C at 760 mmHg (Cal.)
• Flash point: 263.906°C (Cal.)
• Refractive index: 1.59 (Cal.)