Methyl 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
[CAS# 858340-91-7]

Identification

• Name: Methyl 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-nitro-1-(phenylsulfonyl)-, methyl ester; 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,5-nitro-1-(phenylsulfonyl)-,methyl ester; Methyl 5-nitro-1-phenylsulfonyl-7-azaindole-3-carboxylate
• Molecular Formula: C₁₅H₁₁N₃O₆S
• Molecular Weight: 361.33
• CAS Registry Number: 858340-91-7
• SMILES: COC(=O)C1=CN(C2=C1C=C(C=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3
• InChI: 1S/C15H11N3O6S/c1-24-15(19)13-9-17(25(22,23)11-5-3-2-4-6-11)14-12(13)7-10(8-16-14)18(20)21/h2-9H,1H3
• InChIKey: FPYPFZYYLWIUGY-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 579.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 304.5±32.9°C (Cal.)
• Refractive index: 1.686 (Cal.)

Safety Data

• Safety Description: IRRITANT