Sodium 2,4,6-Triiodo-3,5-Bis(Propanoylamino)Benzoate
[CAS# 129-57-7]

Identification

• Name: Sodium 2,4,6-Triiodo-3,5-Bis(Propanoylamino)Benzoate
• Synonyms: Sodium 2,4,6-Triiodo-3,5-Bis(1-Oxopropylamino)Benzoate; Sodium 2,4,6-Triiodo-3,5-Dipropionamido-Benzoate; Benzoic Acid, 3,5-Dipropionamido-2,4,6-Triiodo-, Sodium Salt
• Molecular Formula: C₁₃H₁₂I₃N₂NaO₄
• Molecular Weight: 663.95
• CAS Registry Number: 129-57-7
• SMILES: C(C(NC1=C(C(=C(C(=C1I)NC(CC)=O)I)C(=O)[O-])I)=O)C.[Na+]
• InChI: 1S/C13H13I3N2O4.Na/c1-3-5(19)17-11-8(14)7(13(21)22)9(15)12(10(11)16)18-6(20)4-2;/h3-4H2,1-2H3,(H,17,19)(H,18,20)(H,21,22);/q;+1/p-1
• InChIKey: MEMHCDLRPADYQY-UHFFFAOYSA-M

Properties

• Boiling point: 623.4°C at 760 mmHg (Cal.)
• Flash point: 330.8°C (Cal.)