5-Amino-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide , 97% , 76801-93-9

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: 1312995-182-4

PRODUCT Properties

• 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)
• color: White to Off-White
• Stability: Hygroscopic
• InChI: InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
• InChIKey: KAEGSAWWVYMWIQ-UHFFFAOYSA-N
• SMILES: C1(C(NCC(O)CO)=O)=C(I)C(N)=C(I)C(C(NCC(O)CO)=O)=C1I
• LogP: -1.81 at 23℃ and pH5.83
• Surface tension: 72.85mN/m at 1g/L and 20℃
• CAS DataBase Reference: 76801-93-9(CAS DataBase Reference)

Description and Uses

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.

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).

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• HS Code: 2924296000