DIATRIZOIC ACID CAS 117-96-4
Introduction：Basic information about DIATRIZOIC ACID CAS 117-96-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
DIATRIZOIC ACID Basic information
| Product Name: | DIATRIZOIC ACID |
| Synonyms: | 2,4,6-triiodo-3,5-diacetamidobenzoicacid;3,5-bis(acetylamino)-2,4,6-triiodo-benzoicaci;3,5-diacetamido-2,4,6-triiodo-benzoicaci;amidotrizoate;diat;diatriazoate;3,5-BIS(ACETYLAMINO)-2,4,6-TRIIODOBENZOIC ACID;AMIDOTRIZOIC ACID |
| CAS: | 117-96-4 |
| MF: | C11H9I3N2O4 |
| MW: | 613.91 |
| EINECS: | 204-223-6 |
| Product Categories: | UROVIST;Intermediates & Fine Chemicals;Pharmaceuticals;Organics |
| Mol File: | 117-96-4.mol |
DIATRIZOIC ACID Chemical Properties
| Melting point | >300°C |
| Boiling point | 614.1±55.0 °C(Predicted) |
| density | 2.4079 (estimate) |
| vapor pressure | 0Pa at 20℃ |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | Soluble in Methanol. |
| pka | 0.92±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | 500g/L(25 ºC) |
| Merck | 14,2992 |
| Stability: | Light Sensitive |
| Major Application | diagnostic assay manufacturing hematology histology |
| InChI | 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) |
| InChIKey | YVPYQUNUQOZFHG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=C(I)C(NC(C)=O)=C(I)C(NC(C)=O)=C1I |
| LogP | 3.3 at 20℃ |
| EPA Substance Registry System | Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo- (117-96-4) |
Safety Information
| WGK Germany | 3 |
| RTECS | DG5950000 |
| HS Code | 2924.29.7790 |
| Storage Class | 11 - Combustible Solids |
| Hazardous Substances Data | 117-96-4(Hazardous Substances Data) |
| Toxicity | LD50 intravenous in mouse: 8900mg/kg |
| Chemical Properties | White Solid |
| Originator | Hypaque Sodium,Winthrop,US,1955 |
| Uses | Diatrizoic acid is a gradient reagent used for blood cell separation and diagnostic aid (radiopaque medium). Diatrizoic acid may be used as an alternative to barium sulfate for medical imaging of the gastrointestinal tract, such as upper gastrointestinal series and small bowel series. |
| Uses | Density gradient reagent for blood cell seperation. Diagnostic aid (radiopaque medium) |
| Uses | radiopaque agent |
| Definition | ChEBI: A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an -ray contrast medium in gastrointestinal studies, angiography, and urography. |
| Manufacturing Process | 3,5-Dinitrobenzoic acid (15.9 g) was dissolved in an equivalent amount ofsodium hydroxide solution, and the solution was diluted to 310 ml with water.The solution was refluxed with Raney nickel for fifteen minutes, filtered, andthe filtrate was hydrogenated at elevated pressure using platinum oxidecatalyst. After the amount of hydrogen calculated to reduce both nitro groupshad been absorbed, the mixture was filtered, and the filtrate was acidifiedwith an equal volume of concentrated hydrochloric acid. Iodine monochloride(17 ml) in 100 ml of 6N HCl was then added with stirring. The reactionmixture was allowed to stand for two and one-half hours at roomtemperature, then diluted with an equal amount of water with vigorousstirring, and the solid material was collected by filtration and recrystallized from dilute methanol, giving 18.5 g of 3,5-diamino-2,4,6-triiodobenzoic acid,MP about 135°C with decomposition. The 18.5 g of 3,5-diamino-2,4,6-triiodobenzoic acid was suspended in 150 ml of acetic anhydride containing 5drops of 70% perchloric acid, and the mixture was heated on a steam bath forthree and one-half hours. The reaction mixture was poured into 300 ml of icewater, and then heated on a steam bath until crystallization took place. Thesolid material was collected by filtration, dissolvedin dilute sodium hydroxidesolution, filtered, and hydrochloric acid was added to the filtrate toreprecipitate the acid product. The latter was again dissolved in sodiumhydroxide and reprecipitated with acid, giving 9 g of 3,5-diacetamido-2,4,6-triiodobenzoic acid, MP above 250°C. The acid may be used as the sodium salt or as the meglumate. |
| Brand name | Md (Mallinckrodt); Urovist Sodium (Berlex). |
| Therapeutic Function | Diagnostic aid (radiopaque medium) |
| General Description | Diatrizoate is a water-soluble, ionicmonomer. It is commercially available as the megluminesalt, sodium salt, or as fixed combinations of the two saltforms. These triiodobenzoic acid salts contain 47% organicallybound iodine. Numerous products with various concentrations of one ortwo of the salt forms are available for various imaging procedures.Indicated uses include angiography, venography,excretory urography, retrograde cystourethrography, retrogradeor ascending pyelography, operative, T-tube, or percutaneoustranshepatic cholangiography, splenoportography,arthrography; discography, radiographic examinationof the GI tract when barium sulfate is contraindicated (i.e.,suspected perforation of the GI tract), adjunct contrast enhancementin CT of the torso (dual contrast study), and hysterosalpingography. |
DIATRIZOIC ACID Preparation Products And Raw materials
| Raw materials | ACETYL IODIDE-->3,5-Diaminobenzoic acid-->Sodium hydroxide-->Hydrogen-->2-Chloro-3,5-dinitrobenzoic acid-->Iodine monochloride |
| Preparation Products | Diatrizoate sodium |
