4-Fluoro-3-iodobenzonitrile

Base Information

• Chemical Name: 4-Fluoro-3-iodobenzonitrile
• CAS No.: 159719-57-0
• Molecular Formula: C7H3FIN
• Molecular Weight: 247.01
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40433838
• Nikkaji Number: J743.726I
• Wikidata: Q82248089

Synonyms:4-Fluoro-3-iodobenzonitrile;159719-57-0;3-Iodo-4-fluorobenzonitrile;SCHEMBL7761131;DTXSID40433838;MFCD08458123;AKOS016846095;PS-7514;FT-0750751;F87147

Chemical Property of 4-Fluoro-3-iodobenzonitrile

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Boiling Point: 266.535°C at 760 mmHg
• Flash Point: 114.996°C
• PSA: 23.79000
• Density: 1.982g/cm³
• LogP: 2.30198
• Storage Temp.: Keep Cold
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.92942
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

4-Fluoro-3-iodobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)I)F

Technology Process of 4-Fluoro-3-iodobenzonitrile

There total 5 articles about 4-Fluoro-3-iodobenzonitrile 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: 84.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-fluoro-3-iodobenzonitrile (159719-57-0)

Guidance literature:

With sulfuric acid; iodine; fluorine; In 1,1,2-Trichloro-1,2,2-trifluoroethane; Ambient temperature;

DOI:10.1039/p19960001659

Reference yield: 36.0%

3-amino-4-fluorobenzonitrile (859855-53-1) → 4-fluoro-3-iodobenzonitrile (159719-57-0)

Guidance literature:

With toluene-4-sulfonic acid; potassium iodide; NaNO₂; In lithium hydroxide monohydrate; acetonitrile; at 0 - 20 ℃; for 24h;

DOI:10.1016/j.chempr.2022.01.009

Reference yield: 13.0%

C7H3IN3(1+)*BF4(1-) → 4-fluoro-3-iodobenzonitrile (159719-57-0)

Guidance literature:

In 1,4-dioxane; xylene; for 0.75h; Heating;

DOI:10.1021/jm00047a022

upstream raw materials:

4-amino-3-iodobenzonitrile

4-fluorobenzonitrile

4-Aminobenzonitrile

3-amino-4-fluorobenzonitrile

Downstream raw materials:

4-fluoro-3-iodobenzylamine

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