2,4,6-Triiodo-3-(methylacetamido)-5-((methylamino)carbonyl)benzoylchloride

Base Information

• Chemical Name: 2,4,6-Triiodo-3-(methylacetamido)-5-((methylamino)carbonyl)benzoylchloride
• CAS No.: 58763-17-0
• Molecular Formula: C12H10 Cl I3 N2 O3
• Molecular Weight: 646.389
• DSSTox Substance ID: DTXSID70974284
• Nikkaji Number: J297.017A
• Wikidata: Q82958510
• Mol file: 58763-17-0.mol

Synonyms:58763-17-0;EINECS 261-423-6;SCHEMBL8427646;DTXSID70974284;2,4,6-Triiodo-3-(methylacetamido)-5-((methylamino)carbonyl)benzoylchloride;3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid chloride;3-[Acetyl(methyl)amino]-5-(chlorocarbonyl)-2,4,6-triiodo-N-methylbenzene-1-carboximidic acid

Chemical Property of 2,4,6-Triiodo-3-(methylacetamido)-5-((methylamino)carbonyl)benzoylchloride

Chemical Property:

• Vapor Pressure: 1.84E-13mmHg at 25°C
• Boiling Point: 580.3°Cat760mmHg
• Flash Point: 304.8°C
• PSA: 66.48000
• Density: 2.358g/cm³
• LogP: 3.61260
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 645.7514
• Heavy Atom Count: 21
• Complexity: 452

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)Cl)I)C(=O)NC)I

Technology Process of 2,4,6-Triiodo-3-(methylacetamido)-5-((methylamino)carbonyl)benzoylchloride

There total 1 articles about 2,4,6-Triiodo-3-(methylacetamido)-5-((methylamino)carbonyl)benzoylchloride 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: 73.0%

3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid (21656-26-8) → 2,4,6-triiodo-3-N-methylcarbamyl-5-N-acetyl-N-methylamino-benzoic acid chloride (58763-17-0)

Guidance literature:

In thionyl chloride;

upstream raw materials:

3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid

Refernces