1-(2-Hydroxy-3,5-diiodophenyl)ethan-1-one

Base Information

• Chemical Name: 1-(2-Hydroxy-3,5-diiodophenyl)ethan-1-one
• CAS No.: 7191-46-0
• Molecular Formula: C8H6I2O2
• Molecular Weight: 387.943
• European Community (EC) Number: 230-557-7
• NSC Number: 83970
• UNII: WHU2JM6SR3
• DSSTox Substance ID: DTXSID40222163
• Nikkaji Number: J227.433G
• Wikidata: Q83100330
• Mol file: 7191-46-0.mol

Synonyms:1-(2-Hydroxy-3,5-diiodophenyl)ethan-1-one;1-(2-hydroxy-3,5-diiodophenyl)ethanone;7191-46-0;WHU2JM6SR3;EINECS 230-557-7;NSC-83970;NSC83970;UNII-WHU2JM6SR3;SCHEMBL22991362;DTXSID40222163;2-hydroxy-3,5-diiodo-acetophenone;C8-H6-I2-O2;NSC 83970;2'-Hydroxy-3',5'-diiodoacetophenone;Ethanone, 1-(2-hydroxy-3,5-diiodophenyl)-

Chemical Property of 1-(2-Hydroxy-3,5-diiodophenyl)ethan-1-one

Chemical Property:

• Vapor Pressure: 2.56E-05mmHg at 25°C
• Melting Point: 128°C
• Boiling Point: 348.1°C at 760 mmHg
• Flash Point: 164.3°C
• PSA: 37.30000
• Density: 2.372g/cm³
• LogP: 2.80400
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 387.84572
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C(=CC(=C1)I)I)O

Technology Process of 1-(2-Hydroxy-3,5-diiodophenyl)ethan-1-one

There total 4 articles about 1-(2-Hydroxy-3,5-diiodophenyl)ethan-1-one 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: 97.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) → 1-(2-hydroxy-3,5-diiodophenyl)ethanone (7191-46-0)

Guidance literature:

With sodium periodate; potassium iodide; sodium chloride; In water; acetic acid; at 25 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.05.062

Reference yield:

→ 1-(2-hydroxy-3,5-diiodophenyl)ethanone (7191-46-0)

Guidance literature:

With sodium sulfide; In ethanol; for 1h; Heating;

DOI:10.1081/SCC-120022483

Reference yield:

4-(2-hydroxy-3,5-diiodo-phenyl)-[1,3]dithiole-2-thione → 1-(2-hydroxy-3,5-diiodophenyl)ethanone (7191-46-0)

Guidance literature:

With sodium sulfide; In ethanol; for 2h; Heating;

DOI:10.1081/SCC-120022483

upstream raw materials:

o-hydroxyacetophenone

Downstream raw materials:

2-(4-Bromo-2-methoxy-phenyl)-3-hydroxy-6,8-diiodo-chromen-4-one

C₁₁H₁₁I₂NO₂

C₂₂H₁₆I₂N₂O₃S

C₁₆H₁₂I₂N₂O₃S

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