1,4-Diiodo-2-nitrobenzene

Base Information

• Chemical Name: 1,4-Diiodo-2-nitrobenzene
• CAS No.: 89488-57-3
• Molecular Formula: C6H3I2NO2
• Molecular Weight: 374.904
• DSSTox Substance ID: DTXSID10458174
• Nikkaji Number: J2.197.699G
• Wikidata: Q72467222
• Mol file: 89488-57-3.mol

Synonyms:1,4-Diiodo-2-nitrobenzene;89488-57-3;1,4-diiodo-2-nitro-benzene;Benzene, 1,4-diiodo-2-nitro-;SCHEMBL1665978;DTXSID10458174;WNAMUUCHNYHBEV-UHFFFAOYSA-N;AB9108;MFCD09030977;AKOS015962992;DS-8975;AC-18769;CS-0157068;FT-0737758;EN300-816176;A856403

Chemical Property of 1,4-Diiodo-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 6.74E-05mmHg at 25°C
• Melting Point: 109-110℃
• Refractive Index: 1.739
• Boiling Point: 354.675 °C at 760 mmHg
• Flash Point: 168.302 °C
• PSA: 45.82000
• Density: 2.578 g/cm³
• LogP: 3.32720
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 374.82532
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

1,4-Diiodo-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)[N+](=O)[O-])I

Technology Process of 1,4-Diiodo-2-nitrobenzene

There total 6 articles about 1,4-Diiodo-2-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: 99.0%

4-iodo-2-nitroaniline (20691-72-9) → 1,4-diiodo-2-nitrobenzene (89488-57-3)

Guidance literature:

4-iodo-2-nitroaniline; With sulfuric acid; acetic acid; sodium nitrite; In water; at -5 - 0 ℃; for 0.5h;

With sodium iodide; In water; at 60 ℃; for 1h;

Reference yield:

2-nitro-aniline (88-74-4) → 1,4-diiodo-2-nitrobenzene (89488-57-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 80 percent / Ag₂SO₄; I₂ / ethanol / 0.5 h / 20 °C

2.1: H₂SO₄; AcOH; NaNO₂ / H₂O / 1.5 h

2.2: 95 percent / KI / H₂O / 1 h / 60 °C

With sulfuric acid; iodine; silver sulfate; acetic acid; sodium nitrite; In ethanol; water;

DOI:10.1021/jo048132o

Reference yield:

2-nitro-1,4-phenylenediamine (5307-14-2,183870-67-9) → 1,4-diiodo-2-nitrobenzene (89488-57-3)

Guidance literature:

Diazotization_.Behandlung der Diazoniumsalz-Loesung mit KI;

DOI:10.1021/ja01338a034

upstream raw materials:

2-nitro-1,4-phenylenediamine

3-nitro-4-iodoaniline

4-iodo-2-nitroaniline

2-nitro-aniline

Downstream raw materials:

2-nitro-1,4-bis(trimethylsilanylethynyl)benzene

1-nitro-2,5-diethynylbenzene

thioacetic acid S-{4-[4-(4-acetylsulfanylphenylethynyl)-2-nitrophenylethynyl]phenyl} ester

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