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Merck
CN

D9268

Diatrizoic acid

≥98% purity, powder

Synonym(s):

Amidotrizoic Acid, NSC 262168

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About This Item

Empirical Formula (Hill Notation):
C11H9I3N2O4
CAS Number:
117-96-4
Molecular Weight:
613.91
NACRES:
NA.75
PubChem Substance ID:
24894277
UNSPSC Code:
12352207
EC Number:
204-223-6
MDL number:
MFCD00069960

Key Documents

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Product Name

Diatrizoic acid, Iodine-containing contrast agent

InChI key

YVPYQUNUQOZFHG-UHFFFAOYSA-N

InChI

1S/C11H9I3N2O4/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)

SMILES string

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I

form

powder

composition

Water (by Karl Fischer): ≤ 7.1%

concentration

≥98.0% AgNO3

technique(s)

titration: suitable

color

white to off-white

solubility

1 M NH4OH: 100 mg/mL, colorless

application(s)

diagnostic assay manufacturing
hematology
histology

storage temp.

room temp

Quality Level

200

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Application

Diatrizoic acid has been used as a contrast-enhancing fluid for X-ray based measurements.

General description

Diatrizoic acid is an iodine-containing contrast agent. It is also known as amidotrizoic acid. Diatrizoic acid is one of the trace contaminants of waste water treatment plants.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM6758
098K1573V
098K1573
120M0462V
120M0462

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ILASS Americas, 26th Annual Conference on Liquid Atomization and Spray Systems (2014)
Nicolas Anton et al.
International journal of pharmaceutics, 454(1), 143-148 (2013-07-16)
This study proposes a new methodology to evaluate the putative consequences of the long-lasting circulation in the blood pool of nanoparticulate systems widely used in nanomedicine, Indeed, the blood pool contrast agent for micro-computed tomography, i.e. iodinated nano-emulsions, have recently
Katharina Fucke et al.
Chemical communications (Cambridge, England), 48(99), 12065-12067 (2012-11-10)
We present three crystal structures of diatrizoic acid (DTA) DMSO solvates illustrating progressive desolvation of the DTA molecule and concomitant increasing degree of DTA self-association. Using these structures, plausible pathways for overcoming the solvation shell of DTA during its crystallisation
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