4-Iodo-Phenol 1-(4-Methylbenzenesulfonate)
[CAS# 24962-55-8]

Identification

• Name: 4-Iodo-Phenol 1-(4-Methylbenzenesulfonate)
• Synonyms: 4-Methylbenzenesulfonic Acid (4-Iodophenyl) Ester; Nsc173913
• Molecular Formula: C₁₃H₁₁IO₃S
• Molecular Weight: 374.19
• CAS Registry Number: 24962-55-8
• SMILES: C2=C([S](OC1=CC=C(I)C=C1)(=O)=O)C=CC(=C2)C
• InChI: 1S/C13H11IO3S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
• InChIKey: DDXDGBOZDFYVGL-UHFFFAOYSA-N

Properties

• Density: 1.69g/cm³ (Cal.)
• Boiling point: 445.635°C at 760 mmHg (Cal.)
• Flash point: 223.312°C (Cal.)