Pentaiodobenzene

Base Information

• Chemical Name: Pentaiodobenzene
• CAS No.: 608-96-8
• Molecular Formula: C6HI5
• Molecular Weight: 707.596
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50209647
• Nikkaji Number: J135.681J
• Wikidata: Q34199673
• Mol file: 608-96-8.mol

Synonyms:PENTAIODOBENZENE;1,2,3,4,5-pentaiodobenzene;608-96-8;Pentajod-benzol;SCHEMBL3582448;DTXSID50209647;Q34199673

Chemical Property of Pentaiodobenzene

Chemical Property:

• Vapor Pressure: 8.29E-09mmHg at 25°C
• Melting Point: 172°C
• Refractive Index: 1.8700 (estimate)
• Boiling Point: 477.1°Cat760mmHg
• Flash Point: 259.5°C
• PSA: 0.00000
• Density: 3.541g/cm³
• LogP: 4.70960
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 707.5302
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentaiodobenzene

There total 8 articles about Pentaiodobenzene 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: 99.0%

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → pentaiodobenzene (608-96-8)

Guidance literature:

With trifluorormethanesulfonic acid; [bis(pyridine)iodine]⁺ tetrafluoroborate; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1016/S0040-4039(00)79256-2

Reference yield: 2.0%

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,2,4,5-tetraiodobenzene (636-31-7) + pentaiodobenzene (608-96-8)

Guidance literature:

With sulfuric acid; periodic acid; potassium iodide; Title compound not separated from byproducts; Ambient temperature;

DOI:10.1021/jo00172a063

Reference yield:

sodium phenylsulfonate (515-42-4) → 1,2,4,5-tetraiodobenzene (636-31-7) + pentaiodobenzene (608-96-8) + hexaiodobenzene (608-74-2) + 3,4,5-triiodo-benzenesulfonic acid (135598-04-8)

Guidance literature:

With sulfuric acid; iodine; periodic acid; for 48h; Further byproducts given; Ambient temperature;

DOI:10.1021/jo00020a036

upstream raw materials:

sodium phenylsulfonate

benzene

phenylmercury(II) chloride

Refernces

• 1、 Mattern, Daniell Lewis,Chen, Xinhua. "Direct Polyiodination of Benzenesulfonic Acid". . p. 5903 - 5907. Retrieved 2007/10/02.