1-Fluoro-2-iodo-4-nitrobenzene

Base Information

• Chemical Name: 1-Fluoro-2-iodo-4-nitrobenzene
• CAS No.: 177363-10-9
• Molecular Formula: C₆H₃FINO₂
• Molecular Weight: 266.998
• Hs Code.: 2904909090
• European Community (EC) Number: 864-226-9
• DSSTox Substance ID: DTXSID20441512
• Nikkaji Number: J743.725K
• Wikidata: Q82258303
• Mol file: 177363-10-9.mol

Synonyms:1-Fluoro-2-iodo-4-nitrobenzene;177363-10-9;4-Fluoro-3-iodonitrobenzene;Benzene, 1-fluoro-2-iodo-4-nitro-;MFCD08461002;2-iodo 4-nitro fluorobenzene;SCHEMBL1024831;3-Iodo-4-fluoro-1-nitrobenzene;DTXSID20441512;XSFIPDPCQOJJFR-UHFFFAOYSA-N;AMY28171;CHA36310;AKOS009476532;DS-5542;SY041733;CS-0041294;EN300-95261;A904947

Chemical Property of 1-Fluoro-2-iodo-4-nitrobenzene

Chemical Property:

• Boiling Point: 287.0±20.0 °C(Predicted)
• PSA: 45.82000
• Density: 2.093±0.06 g/cm3(Predicted)
• LogP: 2.86170
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 266.91925
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

1-Fluoro-2-iodo-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])I)F

Technology Process of 1-Fluoro-2-iodo-4-nitrobenzene

There total 3 articles about 1-Fluoro-2-iodo-4-nitrobenzene 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: 93.0%

6-fluoro-3-nitroaniline (369-36-8) → 1-fluoro-2-iodo-4-nitrobenzene (177363-10-9)

Guidance literature:

6-fluoro-3-nitroaniline; With tert.-butylnitrite; boron trifluoride diethyl etherate; In tetrahydrofuran; diethyl ether; at -20 - 0 ℃; for 0.166667h;

With iodine; potassium iodide; In acetonitrile; at 20 ℃; for 1h; Time;

Reference yield: 90.0%

5-fluoro-2-nitrobenzoic acid (320-98-9) → 1-fluoro-2-iodo-4-nitrobenzene (177363-10-9)

Guidance literature:

With copper(I) oxide; potassium phosphate; bismuth (III) nitrate pentahydrate; palladium(II) trifluoroacetate; oxygen; sodium iodide; In dimethyl sulfoxide; at 170 ℃; for 20h; Schlenk technique;

Reference yield: 70.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-fluoro-2-iodo-4-nitrobenzene (177363-10-9)

Guidance literature:

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

DOI:10.1039/p19960001659

upstream raw materials:

4-Fluoronitrobenzene

5-fluoro-2-nitrobenzoic acid

6-fluoro-3-nitroaniline