1-Bromo-4,5-difluoro-2-nitrobenzene

Base Information

• Chemical Name: 1-Bromo-4,5-difluoro-2-nitrobenzene
• CAS No.: 321-17-5
• Molecular Formula: C6H2BrF2NO2
• Molecular Weight: 237.988
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID70598222
• Wikidata: Q82493952
• Mol file: 321-17-5.mol

Synonyms:321-17-5;1-Bromo-4,5-difluoro-2-nitrobenzene;2-Bromo-4,5-difluoronitrobenzene;4,5-Difluoro-2-nitrobromobenzene;MFCD06808551;Benzene, 1-bromo-4,5-difluoro-2-nitro-;1-bromo-4,5-difluoro-2-nitro-benzene;SCHEMBL2536509;AMY8687;DTXSID70598222;UWPUJVOSEQMMQE-UHFFFAOYSA-N;AKOS005216703;AS-17368;SY074892;CS-0098709;EN300-113032;A852524

Chemical Property of 1-Bromo-4,5-difluoro-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 226.7 °C at 760 mmHg
• Flash Point: 90.9 °C
• PSA: 45.82000
• Density: 1.89 g/cm³
• LogP: 3.15870
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 236.92370
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

99%, ^*data from raw suppliers

1-Bromo-4,5-difluoro-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)Br)[N+](=O)[O-]

Technology Process of 1-Bromo-4,5-difluoro-2-nitrobenzene

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

1-bromo-3,4-difluorobenzene (348-61-8) → 1-bromo-4,5-difluoro-2-nitrobenzene (321-17-5)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 2h; Inert atmosphere; Cooling with ice;

Reference yield:

ortho-difluorobenzene (367-11-3) → 1-bromo-4,5-difluoro-2-nitrobenzene (321-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; bromine

2: sulfuric acid; fuming nitric acid / <38

With sulfuric acid; bromine; nitric acid; iron;

DOI:10.1021/jo01107a005

Reference yield: 91.0%

1H-imidazole (288-32-4) + 1-bromo-4,5-difluoro-2-nitrobenzene (321-17-5) → 1-(5-bromo-2-fluoro-4-nitrophenyl)-1H-imidazole

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃;

upstream raw materials:

1-bromo-3,4-difluorobenzene

ortho-difluorobenzene

Downstream raw materials:

bis-(5-bromo-2-fluoro-4-nitro-phenyl)-sulfide

2-bromo-4,5-difluoro-aniline

2-bromo-4,5-difluorobenzonitrile

2-bromo-4,5-difluorobenzoic acid

Refernces

• 1、 -. "N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR". Paragraph 0194. . Retrieved 2016/01/25.
• 2、 -. "COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY". Page/Page column 65; 66. . Retrieved 2014/09/29.