5-Amino-2,4,6-triiodoisophthalic acid

Base Information

• Chemical Name: 5-Amino-2,4,6-triiodoisophthalic acid
• CAS No.: 35453-19-1
• Molecular Formula: C8H4I3NO4
• Molecular Weight: 558.838
• Hs Code.: 2922.49
• European Community (EC) Number: 252-575-4
• UNII: A17G990RT0
• DSSTox Substance ID: DTXSID10188969
• Nikkaji Number: J260.627E
• Wikidata: Q27273489
• Mol file: 35453-19-1.mol

Synonyms:5-amino-2,4,6-triiodoisophthalic acid

Chemical Property of 5-Amino-2,4,6-triiodoisophthalic acid

Chemical Property:

• Appearance/Colour: slightly yellow powder
• Vapor Pressure: 1.83E-12mmHg at 25°C
• Melting Point: 265-270 °C
• Refractive Index: 1.869
• Boiling Point: 539.4 °C at 760 mmHg
• PKA: 0.83±0.10(Predicted)
• Flash Point: 280 °C
• PSA: 100.62000
• Density: 3.053 g/cm³
• LogP: 3.06020
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 558.7275
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

99.0% min ^*data from raw suppliers

5-Amino-2,4,6-triiodoisophthalic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 42/43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1I)N)I)C(=O)O)I)C(=O)O
• Uses: Intermediate for nonionic iodinated X-ray contrast agents. 5-Amino-2,4,6-triiodoisophthalic Acid (Iohexol EP Impurity K) is an intermediate for nonionic iodinated X-ray contrast agents.

Technology Process of 5-Amino-2,4,6-triiodoisophthalic acid

There total 5 articles about 5-Amino-2,4,6-triiodoisophthalic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.95%

5-aminoisophthalic acid (99-31-0) → 2,4,6-triiodo-5-aminoisophthalic acid (35453-19-1)

Guidance literature:

With potassium iodate; sulfuric acid; iodine; In water; at 25 - 70 ℃; Temperature;

Reference yield: 95.0%

→ 2,4,6-triiodo-5-(prop-2-enamido)benzene-1,3-dicarboxylic acid (783279-02-7) + 2,4,6-triiodo-5-aminoisophthalic acid (35453-19-1)

Guidance literature:

Reference yield:

5-amino-1,3-benzenedicarboxylic acid sodium salt → 2,4,6-triiodo-5-aminoisophthalic acid (35453-19-1)

Guidance literature:

With sulfuric acid; iodine; Iodine monochloride; sodium hydrogensulfite; In hydrogenchloride; water;

upstream raw materials:

5-aminoisophthalic acid

5-nitrobenzene-1,3-dicarboxylic acid

Downstream raw materials:

dimethyl 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylate

5-amino-2,4,6-triiodoisophthalic acid dichloride

5,5′-[malonylbis(azanediyl)]bis(2,4,6-triiodoisophthaloyl dichloride)

5-acetylamino-2,4,6-triiodo-isophthalic acid

Refernces

• 1、 -. "Method for preparing 5-amino-2,4,6-triiodoisophthalic acid". Paragraph 0050-0067. . Retrieved 2019/10/04.
• 2、 -. "Process for the iodination of aromatic compounds". Page/Page column 8. . Retrieved 2010/11/04.