4-Bromo-1,2-dinitrobenzene

Base Information

• Chemical Name: 4-Bromo-1,2-dinitrobenzene
• CAS No.: 610-38-8
• Molecular Formula: C6H3 Br N2 O4
• Molecular Weight: 247.005
• NSC Number: 10252
• UNII: T6BN4PBM7U
• DSSTox Substance ID: DTXSID80209857
• Nikkaji Number: J94.968J
• Wikidata: Q83084328
• Mol file: 610-38-8.mol

Synonyms:4-BROMO-1,2-DINITROBENZENE;610-38-8;1,2-Dinitro-4-bromobenzene;3,4-dinitrobromobenzene;NSC 10252;NSC-10252;NSC10252;T6BN4PBM7U;ghl.PD_Mitscher_leg0.922;4-bromo-1,2-dinitro-benzene;SCHEMBL1561802;DTXSID80209857;Benzene, 4-bromo-1,2-dinitro-;MFCD00474634;AKOS016001898;AM83247;4-Bromo-1,2-dinitrobenzene [Forbidden];AS-30724;CS-0186944;4-Bromo-1,2-dinitrobenzene (unstable at 59 C);A868824;4-Bromo-1,2-dinitrobenzene (unstable at 59 C) [Forbidden]

Chemical Property of 4-Bromo-1,2-dinitrobenzene

Chemical Property:

• Melting Point: 59-59.5 °C
• Boiling Point: 353.6±22.0 °C(Predicted)
• Density: 1.910±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 245.92762
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99%, ^*data from raw suppliers

4-Bromo-1,2-dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-1,2-dinitrobenzene

There total 5 articles about 4-Bromo-1,2-dinitrobenzene 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%

m-nitrobromobenzene (585-79-5) → 4-bromo-1,2-dinitrobenzene (610-38-8)

Guidance literature:

With sulfuric acid; nitric acid; at 30 ℃; for 1h;

DOI:10.1039/P19800000982

Reference yield: 76.0%

4-Bromo-2-nitroaniline (875-51-4) → 4-bromo-1,2-dinitrobenzene (610-38-8)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic acid; at 20 - 50 ℃; for 2.66667h;

DOI:10.3109/14756366.2013.776556

Reference yield:

N-(4-bromo-2-nitrophenyl)acetamide (881-50-5) → 4-bromo-1,2-dinitrobenzene (610-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / ethanol / 12 h / 80 °C

2: trifluoroacetic acid; dihydrogen peroxide / 2.67 h / 20 - 50 °C

With dihydrogen peroxide; trifluoroacetic acid; potassium hydroxide; In ethanol;

DOI:10.3109/14756366.2013.776556

upstream raw materials:

m-nitrobromobenzene

N-(4-bromo-2-nitrophenyl)acetamide

4-Bromo-2-nitroaniline

Downstream raw materials:

bis-(5-bromo-2-nitro-phenyl)-disulfide

N,N'-bis-(5-bromo-2-nitro-phenyl)-propanediyldiamine

(4-ethoxy-phenyl)-(5-bromo-2-nitro-phenyl)-amine

5-bromo-N-methyl-2-nitroaniline

Refernces

• 1、 -. "Benzo[D]imidazole derivatives of piperidine and piperazine". Page/Page column 12. . Retrieved 2014/12/09.