4-Fluoro-1,2-diiodobenzene

Base Information

• Chemical Name: 4-Fluoro-1,2-diiodobenzene
• CAS No.: 203059-85-2
• Molecular Formula: C6H3FI2
• Molecular Weight: 347.897
• Hs Code.: 2903999090
• European Community (EC) Number: 672-512-8
• DSSTox Substance ID: DTXSID60378959
• Wikidata: Q72467185
• Mol file: 203059-85-2.mol

Synonyms:4-fluoro-1,2-diiodobenzene;203059-85-2;1,2-Diiodo-4-fluorobenzene;4-fluoro-1,2-diiodo-benzene;3,4-diiodofluorobenzene;SCHEMBL4136962;DTXSID60378959;Benceno, 4-fluoro-1,2-diiodo-;C6 H3 F I2;MFCD00042576;AKOS016013090;FS-4189;FT-0760926;A814426

Chemical Property of 4-Fluoro-1,2-diiodobenzene

Chemical Property:

• Vapor Pressure: 0.0203mmHg at 25°C
• Refractive Index: 1.679
• Boiling Point: 272.7 °C at 760 mmHg
• Flash Point: 109.9 °C
• PSA: 0.00000
• Density: 2.524 g/cm³
• LogP: 3.03490
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 347.83082
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98.5% ^*data from raw suppliers

4-Fluoro-1,2-diiodobenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)I)I

Technology Process of 4-Fluoro-1,2-diiodobenzene

There total 2 articles about 4-Fluoro-1,2-diiodobenzene 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: 60.0%

4-fluoro-2-iodoaniline (61272-76-2) → 4-fluoro-1,2-diiodobenzene (203059-85-2)

Guidance literature:

4-fluoro-2-iodoaniline; With hydrogenchloride; In water; for 1h; Inert atmosphere;

With sodium nitrite; In water; at 0 - 5 ℃; Inert atmosphere;

With potassium iodide; In water; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jacs.6b08540

Reference yield:

4-fluoroaniline (371-40-4) → 4-fluoro-1,2-diiodobenzene (203059-85-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: iodine; sodium hydrogencarbonate / Inert atmosphere

2.1: hydrogenchloride / water / 1 h / Inert atmosphere

2.2: 0 - 5 °C / Inert atmosphere

2.3: 2 h / 20 °C / Inert atmosphere

With hydrogenchloride; iodine; sodium hydrogencarbonate; In water;

DOI:10.1021/jacs.6b08540

Reference yield: 91.0%

4-fluoro-1,2-diiodobenzene (203059-85-2) + phenylacetylene (536-74-3) → 4-fluoro-1,2-bis(phenylethynyl)benzene

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.6b08540

upstream raw materials:

4-fluoroaniline

4-fluoro-2-iodoaniline

Downstream raw materials:

2-(5-Fluoro-2-iodophenylthio)-1-(4-methoxybenzyl)-1H-imidazo[4,5-c]pyridin-4-amine

2-iodo-5-fluorophenylboronic acid

2-iodo-5-fluorophenylboronic acid

Refernces