1-Bromo-2-chloro-5-fluoro-4-nitrobenzene

Base Information

• Chemical Name: 1-Bromo-2-chloro-5-fluoro-4-nitrobenzene
• CAS No.: 1027833-17-5
• Molecular Formula: C6H2BrClFNO2
• Molecular Weight: 254.443
• Hs Code.: 2904909090
• European Community (EC) Number: 865-766-8
• DSSTox Substance ID: DTXSID80439319
• Wikidata: Q82255239
• Mol file: 1027833-17-5.mol

Synonyms:1-Bromo-2-chloro-5-fluoro-4-nitrobenzene;1027833-17-5;4-Bromo-5-chloro-2-fluoronitrobenzene;MFCD11110551;SCHEMBL2479797;DTXSID80439319;DIPJMSNYGIUYII-UHFFFAOYSA-N;AKOS015834839;CS-W018742;AC-28470;AS-20026;SY034445;EN300-103920;A896699

Chemical Property of 1-Bromo-2-chloro-5-fluoro-4-nitrobenzene

Chemical Property:

• Boiling Point: 291.0±35.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.904±0.06 g/cm3(Predicted)
• LogP: 3.67300
• Storage Temp.: Room temperature.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 252.89415
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Bromo-2-chloro-5-fluoro-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Br)F)[N+](=O)[O-]

Technology Process of 1-Bromo-2-chloro-5-fluoro-4-nitrobenzene

There total 1 articles about 1-Bromo-2-chloro-5-fluoro-4-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: 97.66%

2-bromo-1-chloro-4-fluoro-benzene (201849-15-2) → 1-bromo-2-chloro-5-fluoro-4-nitrobenzene (1027833-17-5)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 ℃; for 0.5h;

Reference yield: 88.75%

1-bromo-2-chloro-5-fluoro-4-nitrobenzene (1027833-17-5) → 4-bromo-5-chloro-2-fluoroaniline (116369-24-5)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; at 0 ℃; for 0.5h;

Reference yield: 75.0%

sodium methylate (124-41-4) + 1-bromo-2-chloro-5-fluoro-4-nitrobenzene (1027833-17-5) → 1-bromo-2-chloro-5-methoxy-4-nitro-benzene (1360616-77-8)

Guidance literature:

In methanol; at 0 ℃; for 1.5h;

upstream raw materials:

2-bromo-1-chloro-4-fluoro-benzene

Downstream raw materials:

1-bromo-2-chloro-5-methoxy-4-nitro-benzene

1-chloro-4-methoxy-5-nitro-2-vinylbenzene

2-(2-chloro-5-methoxy-4-nitrophenyl)-N-(4-(4-methylpiperazin-1-yl)benzyl)ethanamine

[(S)-1-(4-bromo-phenyl)-ethyl]-[2-(2-chloro-5-methoxy-4-nitro-phenyl)-ethyl]-amine

Refernces

• 1、 -. "PHENOXYMETHYL DERIVATIVES". Page/Page column 148; 149. . Retrieved 2017/03/21.
• 2、 -. "PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES". Page/Page column 78. . Retrieved 2013/06/05.