Iodol

Base Information

• Chemical Name: Iodol
• CAS No.: 87-58-1
• Molecular Formula: C4H I4 N
• Molecular Weight: 570.677
• Hs Code.: 2933990090
• European Community (EC) Number: 201-754-5
• NSC Number: 36714
• UNII: 35ZC5024YS
• DSSTox Substance ID: DTXSID20236041
• Nikkaji Number: J4.279J
• Wikidata: Q27256494
• NCI Thesaurus Code: C65933
• ChEMBL ID: CHEMBL2105006
• Mol file: 87-58-1.mol

Synonyms:Iodol;2,3,4,5-tetraiodo-1H-pyrrole;87-58-1;Iodopyrrole;2,3,4,5-Tetraiodopyrrole;Iodol [USP];Jodol;Tetraiodopyrrole;1H-Pyrrole,2,3,4,5-tetraiodo-;NSC-36714;UNII-35ZC5024YS;35ZC5024YS;EINECS 201-754-5;Iodole;IODOPYRROLE [MI];2,4,5-Tetraiodopyrrole;2,3,4,5-tetraiodpyrrol;C4HI4N;Pyrrole,3,4,5-tetraiodo-;SCHEMBL1649169;CHEMBL2105006;1H-Pyrrole,3,4,5-tetraiodo-;C4-H-I4-N;DTXSID20236041;Pyrrole, 2,3,4,5-tetraiodo-;CHEBI:135835;NSC36714;NSC 36714;1H-Pyrrole, 2,3,4,5-tetraiodo-;EN300-365359;AC-907/25004264;Q27256494

Chemical Property of Iodol

Chemical Property:

• Vapor Pressure: 4.14E-10mmHg at 25°C
• Melting Point: 150°C (rough estimate)
• Boiling Point: 512.5°C at 760 mmHg
• Flash Point: 263.8°C
• PSA: 15.79000
• Density: 3.657g/cm³
• LogP: 3.43310
• Water Solubility.: 0.2g/L(15 oC)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 570.6288
• Heavy Atom Count: 9
• Complexity: 96.7

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5-TETRAIODO-1H-PYRROLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(NC(=C1I)I)I)I

Technology Process of Iodol

There total 16 articles about Iodol 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: 78.0%

pyrrole (109-97-7,30604-81-0) → 2,3,4,5-tetraiodo-1H-pyrrole (87-58-1)

Guidance literature:

With ammonium hydroxide; iodine; potassium iodide; In ethanol;

Reference yield: 72.0%

pyrrole (109-97-7,30604-81-0) + pyrographite (7440-44-0) → 2,3,4,5-tetraiodo-1H-pyrrole (87-58-1)

Guidance literature:

With hydrogenchloride; I₂; Ki; In sodium hydroxide; water; acetone;

Reference yield:

→ 2,3,4,5-tetraiodo-1H-pyrrole (87-58-1)

Guidance literature:

With iodine; potassium iodide;

upstream raw materials:

pyrrole

2,3,4,5-tetrachloro-pyrrole

2,3,4,5-tetrabromopyrrole

3,4,5-triiodo-pyrrole-2-carboxylic acid methyl ester

Downstream raw materials:

pyrrole

iodine

Refernces

• 1、 Bock, Hans,Holl, Sven,Krenzel, Volker. "Interaction in molecular crystals, 166 [1, 2]. Polyiodo molecules I2C=CI2, (IC)4S, (IC)4NH, (IC)4N-CH3 and HCI3: Structure determination following crystallization or by Density Functional Theory calculation". . p. 13 - 24. Retrieved 2007/10/03.