Phenobutiodil
[CAS# 554-24-5]

Identification

• Name: Phenobutiodil
• Synonyms: 2-(2,4,6-Triiodophenoxy)Butyric Acid; 4-06-00-01086 (Beilstein Handbook Reference); 4114 Th
• Molecular Formula: C₁₀H₉I₃O₃
• Molecular Weight: 557.89
• CAS Registry Number: 554-24-5
• EINECS: 209-065-1
• SMILES: C1=C(I)C=C(C(=C1I)OC(C(O)=O)CC)I
• InChI: 1S/C10H9I3O3/c1-2-8(10(14)15)16-9-6(12)3-5(11)4-7(9)13/h3-4,8H,2H2,1H3,(H,14,15)
• InChIKey: VYAGDYWTCWDKIS-UHFFFAOYSA-N

Properties

• Density: 2.489g/cm³ (Cal.)
• Boiling point: 529.071°C at 760 mmHg (Cal.)
• Flash point: 273.772°C (Cal.)