3-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
[CAS# 887115-53-9]

Identification

• Name: 3-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
• Synonyms: [887115-53-9]; 1-(Benzenesulfonyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine; 1-Benzenesulfonyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
• Molecular Formula: C₁₃H₉IN₂O₂S
• Molecular Weight: 384.19
• CAS Registry Number: 887115-53-9
• SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)I
• InChI: 1S/C13H9IN2O2S/c14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10/h1-9H
• InChIKey: ZYGPVHZEYCZWNX-UHFFFAOYSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 529.9±53.0°C at 760 mmHg (Cal.)
• Flash point: 274.3±30.9°C (Cal.)
• Refractive index: 1.736 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin