2-Fluoro-6-iodobenzonitrile

Base Information

• Chemical Name: 2-Fluoro-6-iodobenzonitrile
• CAS No.: 79544-29-9
• Molecular Formula: C7H3NFI
• Molecular Weight: 247.01
• Hs Code.: 29269090
• Mol file: 79544-29-9.mol

Synonyms:6-Fluoro-2-iodobenzonitrile;

Chemical Property of 2-Fluoro-6-iodobenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.071mmHg at 25°C
• Melting Point: 49-53 °C(lit.)
• Refractive Index: 1.577
• Boiling Point: 271.309 °C at 760 mmHg
• Flash Point: 117.884 °C
• PSA: 23.79000
• Density: 1.982 g/cm³
• LogP: 2.30198
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

98% ^*data from raw suppliers

2-Fluoro-6-iodobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T,Xi,F
• Statements: 20/21/22-36/37/38-15-10
• Safety Statements: 36/37-43-36-26-7/8

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Fluoro-6-iodobenzonitrile, is an aryl fluorinated building block used in the chemical synthesis of various compounds.

Technology Process of 2-Fluoro-6-iodobenzonitrile

There total 2 articles about 2-Fluoro-6-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:

2-amino-6-fluorobenzonitrile (77326-36-4) → 2-fluoro-6-iodobenzonitrile (79544-29-9)

Guidance literature:

With hydrogenchloride; potassium iodide; sodium nitrite; Yield given. Multistep reaction; 1.)0 to -5 deg C, 1 h 2.)r.t., 15 h;

Reference yield:

2,6 difluorobenzonitrile (1897-52-5) → 2-fluoro-6-iodobenzonitrile (79544-29-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NH₃(g) / dimethylsulfoxide / 24 h / 75 - 90 °C

2: 1.)NaNO₂/aq. HCl 2.)KI / 1.)0 to -5 deg C, 1 h 2.)r.t., 15 h

With hydrogenchloride; ammonia; potassium iodide; sodium nitrite; In dimethyl sulfoxide;

Reference yield: 94.0%

2-fluoro-6-iodobenzonitrile (79544-29-9) + benzimidazolo<1,2-a>benzimidazole (28890-99-5) → 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodo-benzonitrile

Guidance literature:

With potassium phosphate; In 1-methyl-pyrrolidin-2-one; at 115 ℃; for 2h; Inert atmosphere;

upstream raw materials:

2-amino-6-fluorobenzonitrile

2,6 difluorobenzonitrile

Downstream raw materials:

2,4-diamino-5-iodoquinazoline

5-(2-fluoro-6-iodo-phenyl)-1H-tetrazole

2-fluoro-N-hydroxy-6-iodobenzenecarboximidamide

4-iodine-1H-indazol-3-ylamine

Refernces

• 1、 Hynes, John B.,Pathak, Alpana,Panos, Constantina H.,Okeke, Claudia C.. "Direct Synthesis of 2,4-Diaminoquinazolines from 2-Fluorobenzonitriles". . p. 1173 - 1177. Retrieved 2007/10/02.