5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
Synonym(s):5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
- CAS NO.：76801-93-9
- Empirical Formula: C14H18I3N3O6
- Molecular Weight: 705.02
- MDL number: MFCD08063355
- EINECS: 474-080-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-08 17:36:13
What is 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide?
Description
5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide is an experimental compound that is used in the industrial preparation of pharmaceuticals and agricultural chemicals. It has a molecular weight of 191.14 g/mol. The crystallization process involves the use of ethanol to create supersaturation and then cooling to induce crystallization. This compound can be synthesized by an iodination reaction with x-ray irradiation at low temperatures.
Chemical properties
White to Off-White Solid.
The Uses of 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
Used as an intermediate in the industrial preparation of non-ionic X-ray contrast agents such as Iohexol (I729500), Ioversol (I737000), Ioxilan (I737500), Iopamidol (I735600).
References
[1] RONGVED P, KLAVENESS J, STRANDE P. Starch microspheres as carriers for X-ray imaging contrast agents: Synthesis and stability of new amino-acid linker derivatives[J]. Carbohydrate Research, 1997, 297: 325-331. DOI:10.1016/S0008-6215(96)00286-8.
Properties of 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
| Melting point: | 195°C (dec.) |
| Boiling point: | 684.9±55.0 °C(Predicted) |
| Density | 2.386±0.06 g/cm3(Predicted) |
| vapor pressure | 0Pa at 25℃ |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| pka | 11.58±0.46(Predicted) |
| form | neat |
| color | White to Off-White |
| Stability: | Hygroscopic |
| CAS DataBase Reference | 76801-93-9(CAS DataBase Reference) |
Safety information for 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
| InChIKey | KAEGSAWWVYMWIQ-UHFFFAOYSA-N |
5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide manufacturer
LAMRIN Labs
Gujarat
Phone:91-9099076719
Whatsapp: 91-9099076719
product: 5-Amino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide
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