1,2,3-Tribromo-5-nitrobenzene

Base Information

• Chemical Name: 1,2,3-Tribromo-5-nitrobenzene
• CAS No.: 3460-20-6
• Molecular Formula: C6H2Br3NO2
• Molecular Weight: 359.799
• DSSTox Substance ID: DTXSID80188173
• Nikkaji Number: J1.658.827J
• Wikidata: Q83059991
• Mol file: 3460-20-6.mol

Synonyms:1,2,3-tribromo-5-nitrobenzene;3460-20-6;3,4,5-Tribromonitrobenzene;C6H2Br3NO2;Benzene, 1,2,3-tribromo-5-nitro-;SCHEMBL9713789;C6-H2-Br3-N-O2;1,2,6-Tribromo-4-nitrobenzene;DTXSID80188173;STL089894;AKOS003626439;CS-0234200;EN300-139609

Chemical Property of 1,2,3-Tribromo-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Boiling Point: 344.5°Cat760mmHg
• Flash Point: 162.1°C
• Density: 2.401g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 358.76152
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)Br)Br)[N+](=O)[O-]

Technology Process of 1,2,3-Tribromo-5-nitrobenzene

There total 14 articles about 1,2,3-Tribromo-5-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: 94.0%

4-nitro-aniline (100-01-6,104810-17-5) → 1,2,3-tribromo-5-nitrobenzene (3460-20-6)

Guidance literature:

With tert.-butylnitrite; bromine; copper(ll) bromide; In acetonitrile; at 50 ℃; for 0.5h;

DOI:10.1021/jo01301a004

Reference yield: 94.0%

C10H12Br2N4O2 (401631-97-8) → 1,2,3-tribromo-5-nitrobenzene (3460-20-6)

Guidance literature:

With hydrogen bromide; In acetonitrile; at 60 ℃; for 2h;

DOI:10.1055/s-2001-18072

Reference yield: 75.0%

2,6-dibromo-4-nitroaniline (827-94-1) → 1,2,3-tribromo-5-nitrobenzene (3460-20-6)

Guidance literature:

2,6-dibromo-4-nitroaniline; With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 2h;

With urea; for 0.333333h;

With hydrogen bromide; copper(I) bromide; at 0 ℃; for 2.25h;

DOI:10.1002/anie.201600841

upstream raw materials:

1,2,3-tribromobenzene

2,6-dibromo-4-nitroaniline

4-nitro-aniline

C₁₀H₁₂Br₂N₄O₂

Downstream raw materials:

1,3-dibromo-2-methoxy-5-nitrobenzene

2,6-dibromo-4-nitrophenol

2,6-dibromo-4-nitroaniline

3,4,5-tribromoaniline