3-(Acetylmethylamino)-2,4,6-Triiodo-5-[(Methylamino)Carbonyl]Benzoic Acid
[CAS# 21656-26-8]

Identification

• Name: 3-(Acetylmethylamino)-2,4,6-Triiodo-5-[(Methylamino)Carbonyl]Benzoic Acid
• Synonyms: 3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; 3-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; 3-(Acetylmethylamino)-2,4,6-Triiodo-5-((Methylamino)Carbonyl)Benzoic Acid
• Molecular Formula: C₁₂H₁₁I₃N₂O₄
• Molecular Weight: 627.94
• CAS Registry Number: 21656-26-8
• EINECS: 244-509-8
• SMILES: CN(C1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)O)I)C(=O)C
• InChI: 1S/C12H11I3N2O4/c1-4(18)17(3)10-8(14)5(11(19)16-2)7(13)6(9(10)15)12(20)21/h1-3H3,(H,16,19)(H,20,21)
• InChIKey: RSYPDFSNPVTGBJ-UHFFFAOYSA-N

Properties

• Density: 2.414g/cm³ (Cal.)
• Boiling point: 568.9°C at 760 mmHg (Cal.)
• Flash point: 297.86°C (Cal.)