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Diatrizoic Acid Dihydrate Structure

Diatrizoic Acid Dihydrate

Chemical Properties

storage temp.  2-8°C
solubility  Very slightly soluble in water and in ethanol (96 per cent). It dissolves in dilute solutions of alkali hydroxides.
pka pKa 3.4 (Uncertain)
Stability Light Sensitive
InChI InChI=1S/C11H9I3N2O4.H2O/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);1H2
InChIKey JHQKUXXJPHSPOL-UHFFFAOYSA-N
SMILES N(C1C(=C(NC(=O)C)C(I)=C(C(=O)O)C=1I)I)C(=O)C.O
CAS DataBase Reference 50978-11-5(CAS DataBase Reference)
FDA UNII 408463F217
ATC code V08AA01

Safety

WGK Germany  3
HS Code  2924296000

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