4-Chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
[CAS# 869335-18-2]

Identification

• Name: 4-Chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-; 1H-Pyrrolo[2,3-b]pyridine,4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
• Molecular Formula: C₁₅H₁₃ClN₂O₂S
• Molecular Weight: 320.79
• CAS Registry Number: 869335-18-2
• SMILES: O=S(=O)(c1ccc(cc1)C)n3c2nccc(Cl)c2c(c3)C
• InChI: 1S/C15H13ClN2O2S/c1-10-3-5-12(6-4-10)21(19,20)18-9-11(2)14-13(16)7-8-17-15(14)18/h3-9H,1-2H3
• InChIKey: YBJUYMVPMWMUQJ-UHFFFAOYSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 497.7°C at 760 mmHg (Cal.)
• Flash point: 254.8°C (Cal.)
• Refractive index: 1.654 (Cal.)