4-Fluoro-2-iodo-1-nitrobenzene

Base Information

• Chemical Name: 4-Fluoro-2-iodo-1-nitrobenzene
• CAS No.: 41860-64-4
• Molecular Formula: C6H3FINO2
• Molecular Weight: 266.998
• Hs Code.: 2904990090
• European Community (EC) Number: 835-023-2
• DSSTox Substance ID: DTXSID40598370
• Wikidata: Q82494119
• Mol file: 41860-64-4.mol

Synonyms:4-FLUORO-2-IODO-1-NITROBENZENE;41860-64-4;4-Fluoro-2-iodonitrobenzene;MFCD16658618;2-Iodo-4-fluoronitrobenzene;SCHEMBL310286;DTXSID40598370;QKROTSNREAHREK-UHFFFAOYSA-N;4-fluoro-2-iodo-1-nitro-benzene;AKOS015891224;AC-28578;BP-20283;DA-16838;SY162544;A6875;CS-0097279;F1178;EN300-178525;O11229

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

Chemical Property:

• Melting Point: 30 °C
• Boiling Point: 148°C/20mmHg(lit.)
• 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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)I)[N+](=O)[O-]

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

There total 4 articles about 4-Fluoro-2-iodo-1-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: 89.0%

5-fluoro-2-nitrobenzoic acid (320-98-9) → 4-fluoro-2-iodo-1-nitrobenzene (41860-64-4)

Guidance literature:

With copper(l) iodide; oxygen; In dimethyl sulfoxide; at 160 ℃; for 30h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.5b02873

Reference yield: 83.0%

5-fluoro-2-nitroaniline (2369-11-1) → 4-fluoro-2-iodo-1-nitrobenzene (41860-64-4)

Guidance literature:

With hydrogenchloride; potassium iodide; sodium nitrite; In water; at 0 - 20 ℃; for 3h;

Reference yield:

1-Fluoro-3-iodobenzene (1121-86-4) → 4-fluoro-2-iodo-1-nitrobenzene (41860-64-4) + 5-iodo-2,4-dinitrofluorobenzene (38636-12-3) + 2,5-di-iodo-4-nitrofluorobenzene

Guidance literature:

With sulfuric acid; potassium nitrate; at 135 ℃; for 4.5h; Yield given. Yields of byproduct given;

DOI:10.3987/R-1987-09-2433

upstream raw materials:

1-Fluoro-3-iodobenzene

5-fluoro-2-nitroaniline

5-fluoro-2-nitrobenzoic acid

Downstream raw materials:

4-fluoro-1-nitro-2-(2-propen-1-yl)benzene

5-fluoro-2-nitroaniline

4-fluoro-1-nitro-2-(phenylethynyl)benzene

4-fluoro-2-(3-methylbut-2-en-1-yl)-1-nitrobenzene