[3-(N-Ethylacetylamino)-2,4,6-Triiodophenoxy]Acetic Acid
[CAS# 13080-22-3]

Identification

• Name: [3-(N-Ethylacetylamino)-2,4,6-Triiodophenoxy]Acetic Acid
• Synonyms: 2-[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Phenoxy]Acetic Acid; 2-[3-(Ethanoyl-Ethyl-Amino)-2,4,6-Triiodo-Phenoxy]Ethanoic Acid; Acetic Acid, (3-(N-Ethylacetamido)-2,4,6-Triiodophenoxy)-
• Molecular Formula: C₁₂H₁₂I₃NO₄
• Molecular Weight: 614.94
• CAS Registry Number: 13080-22-3
• SMILES: C1=C(C(=C(C(=C1I)N(C(C)=O)CC)I)OCC(O)=O)I
• InChI: 1S/C12H12I3NO4/c1-3-16(6(2)17)11-7(13)4-8(14)12(10(11)15)20-5-9(18)19/h4H,3,5H2,1-2H3,(H,18,19)
• InChIKey: RKPZPYBAPOBEOT-UHFFFAOYSA-N

Properties

• Density: 2.375g/cm³ (Cal.)
• Boiling point: 625.31°C at 760 mmHg (Cal.)
• Flash point: 331.976°C (Cal.)