Resorcinol, 5-methyl-2,4,6-triiodo-

Base Information

• Chemical Name: Resorcinol, 5-methyl-2,4,6-triiodo-
• CAS No.: 52273-49-1
• Molecular Formula: C7H5I3O2
• Molecular Weight: 501.8268
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID80200304
• Nikkaji Number: J85.008J
• Wikidata: Q83073391
• Mol file: 52273-49-1.mol

Synonyms:5-Methyl-2,4,6-triiodoresorcinol;52273-49-1;Resorcinol, 5-methyl-2,4,6-triiodo-;BRN 2450225;3-06-00-04536 (Beilstein Handbook Reference);DTXSID80200304

Chemical Property of Resorcinol, 5-methyl-2,4,6-triiodo-

Chemical Property:

• Vapor Pressure: 0.00183mmHg at 25°C
• Melting Point: 163-165 °C
• Boiling Point: 283.6°Cat760mmHg
• PKA: 6.08±0.33(Predicted)
• Flash Point: 125.3°C
• PSA: 40.46000
• Density: 2.973g/cm³
• LogP: 3.22000
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 501.7424
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

5-METHYL-2,4,6-TRIIODORESORCINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1I)O)I)O)I

Technology Process of Resorcinol, 5-methyl-2,4,6-triiodo-

There total 3 articles about Resorcinol, 5-methyl-2,4,6-triiodo- 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: 90.0%

orcinol (504-15-4) → 2,4,6-triiodo-5-methyl-resorcinol (52273-49-1)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; calcium carbonate; In methanol; dichloromethane; for 4h; Ambient temperature;

DOI:10.1246/cl.1987.2109

Reference yield:

orcinol (504-15-4) + water (7732-18-5) + Iodine monochloride (7790-99-0) → 2,4,6-triiodo-5-methyl-resorcinol (52273-49-1)

Guidance literature:

Reference yield:

→ 2,4,6-triiodo-5-methyl-resorcinol (52273-49-1)

Guidance literature:

Orcinol, ICl;

upstream raw materials:

orcinol

water

Iodine monochloride

Refernces

• 1、 Carnmalm,Gyllander,Jonsson,Mikiver. "Potential X ray contrast agents. II. Synthesis of some basic derivatives of 3,5 diiodo 4 pyridone". . p. 49 - 52,50,51. Retrieved 2007/10/05.