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50978-11-5

50978-11-5 Structure

50978-11-5 Structure
IdentificationMore
[Name]

3,5-Diacetamido-2,4,6-triiodobenzoic acid
[CAS]

50978-11-5
[Synonyms]

DIATRIZOIC ACID DIHYDRATE
DIATRIZOIC ACID USP
Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, dihydrate
DIAZTRIZOICACID,DIHYDRATE
DIATRIZOICACID,DIHYDRATE,USP
3,5-DIACETAMIDO-2,4,6-TRIIODOBENZOIC ACID (DIATRIZOIC ACID DIHYDRATE)
3,5-Diacetamido-2,4,6-triiodobenzoic acid
Diatrizoic acid
3,5-DIACETAMIDO-2,4,6-TRIIODOBENZIOCACID
[EINECS(EC#)]

204-223-6
[Molecular Formula]

C11H9I3N2O4
[MDL Number]

MFCD06408002
[Molecular Weight]

613.91
[MOL File]

50978-11-5.mol
Chemical PropertiesBack Directory
[Appearance]

White or almost white, crystalline powder.
[storage temp. ]

Sealed in dry,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
[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)
Questions And AnswerBack Directory
[Preparation]

It is prepared by iodination of m-diaminobenzoic acid with iodine monochloride, followed by acylation with acetic anhydride.
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2924296000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3,5-Dinitrobenzoic acid
Hazard InformationBack Directory
[Chemical Properties]

White or almost white, crystalline powder.
[Uses]

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.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

50978-11-5(sigmaaldrich)
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