3-Fluoro-5-iodobenzonitrile

Base Information

• Chemical Name: 3-Fluoro-5-iodobenzonitrile
• CAS No.: 723294-75-5
• Molecular Formula: C7H3 F I N
• Molecular Weight: 247.01
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID90374585
• Wikidata: Q72473596
• Mol file: 723294-75-5.mol

Synonyms:3-fluoro-5-iodobenzonitrile;723294-75-5;3-Fluoro-5-iodo-benzonitrile;SCHEMBL1652055;4-IODOANILINEHYDROCHLORIDE;DTXSID90374585;MFCD04116468;AKOS015853525;AC-2605;CS-W006733;GS-4378;PB43356;AM20050116;FT-0600116;A21176;EN300-646074;J-512523

Chemical Property of 3-Fluoro-5-iodobenzonitrile

Chemical Property:

• Vapor Pressure: 0.0216mmHg at 25°C
• Melting Point: 29-30oC
• Boiling Point: 251℃
• Flash Point: 105℃
• PSA: 23.79000
• Density: 1.98
• LogP: 2.30198
• Storage Temp.: 2-8°C(protect from light)
• 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%,99%, ^*data from raw suppliers

3-Fluoro-5-iodobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)I)C#N

Technology Process of 3-Fluoro-5-iodobenzonitrile

There total 1 articles about 3-Fluoro-5-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: 47.0%

3-amino-5-fluoro-benzonitrile (210992-28-2) → 3-fluoro-5-iodobenzonitrile (723294-75-5)

Guidance literature:

With copper(l) iodide; n-Butyl nitrite; In acetonitrile; at 80 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1021/jm101430m

Reference yield: 64.0%

3-fluoro-5-iodobenzonitrile (723294-75-5) + 2-(2-chlorothiazol-4-yl)ethynyltrimethylsilane (1262778-26-6) → 3-((2-chlorothiazol)-4-ylethynyl)-5-fluorobenzonitrile (1262778-31-3)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran; 2-Methyl-1,2-propanediol; at 80 ℃; Inert atmosphere;

DOI:10.1021/jm101430m

Reference yield: 62.0%

4-(trimethylsilylethynyl)-2-thiazolylamine (329203-88-5) + 3-fluoro-5-iodobenzonitrile (723294-75-5) → 3-[(2-aminothiazol-4-yl)ethynyl]-5-fluorobenzonitrile (1262778-27-7)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran; 2-Methyl-1,2-propanediol; at 80 ℃; Inert atmosphere;

DOI:10.1021/jm101430m

upstream raw materials:

3-amino-5-fluoro-benzonitrile

Downstream raw materials:

3-[(2-aminothiazol-4-yl)ethynyl]-5-fluorobenzonitrile

3-((2-chlorothiazol)-4-ylethynyl)-5-fluorobenzonitrile

3-((2-bromothiazol-4-yl)ethynyl)-5-fluorobenzonitrile

3-((2-iodothiazol-4-yl)ethynyl)-5-fluorobenzonitrile

Refernces