Diatrizoic Acid Dihydrate
Synonym(s):3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid dihydrate;Amidotrizoic Acid;Amidotrizoic acid dihydrate;Diatrizoic acid dihydrate;NSC 262168
- CAS NO.：50978-11-5
- Empirical Formula: C11H11I3N2O5
- Molecular Weight: 631.93
- MDL number: MFCD06408002
- EINECS: 204-223-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is Diatrizoic Acid Dihydrate?
Chemical properties
White or almost white, crystalline powder.
The Uses of Diatrizoic Acid Dihydrate
Diagnostic aid (radiopaque medium).
Definition
ChEBI: The dihydrate form of amidotrizoic acid. Both the dihydrate and the anhydrous form are used as X-ray contrast media.
Properties of Diatrizoic Acid Dihydrate
| 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. |
| form | neat |
| 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 |
| CAS DataBase Reference | 50978-11-5(CAS DataBase Reference) |
Safety information for Diatrizoic Acid Dihydrate
Computed Descriptors for Diatrizoic Acid Dihydrate
| InChIKey | JHQKUXXJPHSPOL-UHFFFAOYSA-N |
| SMILES | N(C1C(=C(NC(=O)C)C(I)=C(C(=O)O)C=1I)I)C(=O)C.O |
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