1,2,3,4,5-Pentabromo-6-nitrobenzene

Base Information

• Chemical Name: 1,2,3,4,5-Pentabromo-6-nitrobenzene
• CAS No.: 22230-46-2
• Molecular Formula: C6Br5 N O2
• Molecular Weight: 517.591
• Hs Code.: 2904909090
• European Community (EC) Number: 659-572-0
• DSSTox Substance ID: DTXSID80405190
• Nikkaji Number: J2.719.700K
• Wikidata: Q82209619
• Mol file: 22230-46-2.mol

Synonyms:1,2,3,4,5-pentabromo-6-nitrobenzene;22230-46-2;2,3,4,5,6-PENTABROMONITROBENZENE;pentabromonitrobenzene;DTXSID80405190;AKOS024432872;FT-0638201;1-NITRO-2,3,4,5,6-PENTABROMOBENZENE

Chemical Property of 1,2,3,4,5-Pentabromo-6-nitrobenzene

Chemical Property:

• Vapor Pressure: 3.24E-05mmHg at 25°C
• Refractive Index: 1.71
• Boiling Point: 365.7°C at 760 mmHg
• Flash Point: 175°C
• PSA: 45.82000
• Density: 2.84g/cm³
• LogP: 5.93050
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 516.58049
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98.5% ^*data from raw suppliers

2,3,4,5,6-PENTABROMONITROBENZENE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2,3,4,5-Pentabromo-6-nitrobenzene

There total 11 articles about 1,2,3,4,5-Pentabromo-6-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: 97.0%

2,4-dinitrobromobenzene (584-48-5) → hexabromobenzene (87-82-1) + 1,2-dibromo-3,5-dinitrobenzene (96558-80-4) + pentabromonitrobenzene (22230-46-2)

Guidance literature:

With sulfuric acid; bromine; nitric acid; at 80 - 85 ℃;

Reference yield: 88.0%

nitrobenzene (98-95-3,26969-40-4) → pentabromonitrobenzene (22230-46-2)

Guidance literature:

With sulfuric acid; bromine; mercury(II) oxide; at 47 ℃; for 1.3h;

Reference yield:

nitrobenzene (98-95-3,26969-40-4) → hexabromobenzene (87-82-1) + pentabromonitrobenzene (22230-46-2)

Guidance literature:

With sulfuric acid; bromine; mercury(II) oxide; at 47 - 50 ℃; for 1.3h; Yield given. Yields of byproduct given;

upstream raw materials:

1,2,3,4-tetrabromo-5-isopropyl-benzene

nitrobenzene

meta-dinitrobenzene

2,4-dinitrobromobenzene

Downstream raw materials:

pentabromoaniline

N-Pentabromophenylpiperidine

N-cyclohexylpentabromoaniline

1,2,4,5-tetrabromo-3-nitrobenzene