5-Bromo-1,2-difluoro-3-nitrobenzene

Base Information

• Chemical Name: 5-Bromo-1,2-difluoro-3-nitrobenzene
• CAS No.: 1261988-16-2
• Molecular Formula: C6H2BrF2NO2
• Molecular Weight: 237.9863864
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID00681474
• Wikidata: Q72454434
• Mol file: 1261988-16-2.mol

Synonyms:5-BROMO-1,2-DIFLUORO-3-NITROBENZENE;1261988-16-2;5-Bromo-2,3-difluoro-1-nitrobenzene;5-Bromo-2,3-difluoronitrobenzene;MFCD18311821;SCHEMBL16005316;DTXSID00681474;OUPFVSYTAGACOT-UHFFFAOYSA-N;AKOS015834393;CS-W006755;DS-17145;SY116274;Benzene, 5-bromo-1,2-difluoro-3-nitro-;N10664;EN300-1723762;A856102

Chemical Property of 5-Bromo-1,2-difluoro-3-nitrobenzene

Chemical Property:

• Boiling Point: 259.0±35.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.890±0.06 g/cm3(Predicted)
• LogP: 3.15870
• Storage Temp.: Room temperature.
• XLogP3: 2.6
• 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:

98%, ^*data from raw suppliers

5-Bromo-1,2-difluoro-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-1,2-difluoro-3-nitrobenzene

There total 1 articles about 5-Bromo-1,2-difluoro-3-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: 55.0%

1,2-difluoro-3-nitrobenzene (6921-22-8) → 5-bromo-1,2-difluoro-3-nitrobenzene (1261988-16-2)

Guidance literature:

1,2-difluoro-3-nitrobenzene; With sulfuric acid; silver sulfate; at 20 ℃; for 0.0833333h;

With bromine; at 20 ℃; for 16h;

Reference yield: 77.22%

5-bromo-1,2-difluoro-3-nitrobenzene (1261988-16-2) → 5-bromo-2,3-difluoroaniline (1375068-68-0)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; for 5h;

Reference yield:

5-bromo-1,2-difluoro-3-nitrobenzene (1261988-16-2) + 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (761446-44-0) → 4-(3,4-difluoro-5-nitrophenyl)-1-methyl-1H-pyrazole to a solution of 5-bromo-1,2-difluoro-3-nitrobenzene

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; at 20 - 90 ℃; for 16h; Inert atmosphere;

upstream raw materials:

1,2-difluoro-3-nitrobenzene

Refernces

• 1、 -. "COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE". Page/Page column 114; 115. . Retrieved 2019/01/06.