2-Nitro-4,5-di-iodoaniline

Base Information

• Chemical Name: 2-Nitro-4,5-di-iodoaniline
• CAS No.: 29270-48-2
• Molecular Formula: C₆H₄I₂N₂O₂
• Molecular Weight: 389.919
• DSSTox Substance ID: DTXSID001308310
• Wikidata: Q107966449
• Mol file: 29270-48-2.mol

Synonyms:2-nitro-4,5-di-iodoaniline;29270-48-2;2-nitro-4,5-diiodoaniline;4,5-Diiodo-2-nitrobenzenamine;SCHEMBL11355728;JVJAIGJOWFTCRI-UHFFFAOYSA-N;DTXSID001308310

Chemical Property of 2-Nitro-4,5-di-iodoaniline

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 389.83622
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Nitro-4,5-di-iodoaniline

There total 2 articles about 2-Nitro-4,5-di-iodoaniline 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%

1,2-diiodo-4,5-dinitrobenzene (29270-47-1) → 2-nitro-4,5-di-iodoaniline (29270-48-2)

Guidance literature:

With ammonia; In tetrahydrofuran; at 20 ℃; for 10h;

DOI:10.1021/jo050926v

Reference yield:

1,2-Dinitrobenzene (528-29-0) → 2-nitro-4,5-di-iodoaniline (29270-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: I₂, SO₃/H₂SO₄ / 170 - 180 °C

2: NH₃ / ethanol

With sulfuric acid; sulfur trioxide; ammonia; iodine; In ethanol;

DOI:10.1039/j39700001480

Reference yield: 95.0%

2-nitro-4,5-di-iodoaniline (29270-48-2) → 1-bromo-4,5-diiodo-2-nitrobenzene (865096-80-6)

Guidance literature:

With 2-Methyl-2-nitropropane; copper(ll) bromide; In acetonitrile; at 60 ℃; for 12h;

DOI:10.1021/jo050926v

upstream raw materials:

1,2-diiodo-4,5-dinitrobenzene

1,2-Dinitrobenzene

Downstream raw materials:

1,2,4-triiodo-5-nitro-benzene

1-bromo-4,5-diiodo-2-nitrobenzene

2-bromo-4,5-diiodoaniline

C₈₇H₁₁₃ISi₃