1,2,4-Tribromo-5-nitrobenzene

Base Information

• Chemical Name: 1,2,4-Tribromo-5-nitrobenzene
• CAS No.: 89365-48-0
• Molecular Formula: C6H2Br3NO2
• Molecular Weight: 359.799
• NSC Number: 122394
• DSSTox Substance ID: DTXSID40298308
• Nikkaji Number: J3.626.266D
• Wikidata: Q82040041
• Mol file: 89365-48-0.mol

Synonyms:1,2,4-tribromo-5-nitrobenzene;89365-48-0;NSC122394;SCHEMBL15826052;DTXSID40298308;NSC-122394;CS-0437345

Chemical Property of 1,2,4-Tribromo-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000885mmHg at 25°C
• Boiling Point: 314°Cat760mmHg
• Flash Point: 143.7°C
• Density: 2.401g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 358.76152
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2,4-Tribromo-5-nitrobenzene

There total 10 articles about 1,2,4-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: 92.0%

1,2,4-tribromobenzene (615-54-3) → 1,2,4-tribromo-5-nitrobenzene (89365-48-0)

Guidance literature:

With ammonium nitrate; trifluoroacetic acid; trifluoroacetic anhydride; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/es0107475

Reference yield:

1,2,4-tribromobenzene (615-54-3) → 1,2,4-tribromo-5-nitrobenzene (89365-48-0)

Guidance literature:

With nitric acid;

Reference yield:

2,5-dibromoaniline (3638-73-1) → 1,2,4-tribromo-5-nitrobenzene (89365-48-0)

Guidance literature:

Multi-step reaction with 2 steps

1: durch Ueberfuehrung in das Diazoperbromid und Zersetzung mit Soda bezw. Alkohol

2: beim Nitrieren, bleibt beim Umkrystallisieren des Rohproduktes aus Alkohol in der Mutterlauge

upstream raw materials:

1,2,4-tribromo-5-isopropyl-benzene

1,2,4-tribromobenzene

Isopropylbenzene

2,5-dibromoaniline

Downstream raw materials:

2,4,5-tribromoaniline

isobutyl-{2-nitro-4,5-bis-[(triisopropylsilanyl)-ethynyl]-phenyl}-amine

C₁₅H₁₉Br₂N₃O₄

C₉H₁₀Br₂N₂O₂