3,5-Diamino-2,4,6-Triiodobenzoic Acid
[CAS# 5505-16-8]

Identification

• Name: 3,5-Diamino-2,4,6-Triiodobenzoic Acid
• Synonyms: Sodium 3,5-Diamino-2,4,6-Triiodo-Benzoate; 3,5-Diamino-2,4,6-Triiodobenzoic Acid Sodium Salt; Benzoic Acid, 3,5-Diamino-2,4,6-Triiodo-, Sodium Salt
• Molecular Formula: C₇H₄I₃N₂NaO₂
• Molecular Weight: 551.82
• CAS Registry Number: 5505-16-8
• EINECS: 226-845-7
• SMILES: C1(=C(I)C(=C(I)C(=C1I)N)N)C([O-])=O.[Na+]
• InChI: 1S/C7H5I3N2O2.Na/c8-2-1(7(13)14)3(9)6(12)4(10)5(2)11;/h11-12H2,(H,13,14);/q;+1/p-1
• InChIKey: YQFXVTZPIGAJRU-UHFFFAOYSA-M

Properties

• Boiling point: 503.9°C at 760 mmHg (Cal.)
• Flash point: 258.6°C (Cal.)