4-Bromo-2-nitro-1-phenoxybenzene

Base Information

• Chemical Name: 4-Bromo-2-nitro-1-phenoxybenzene
• CAS No.: 56966-61-1
• Molecular Formula: C12H8BrNO3
• Molecular Weight: 294.104
• Hs Code.: 2909309090
• European Community (EC) Number: 817-115-4
• DSSTox Substance ID: DTXSID50582982
• Wikidata: Q82474493
• Mol file: 56966-61-1.mol

Synonyms:4-Bromo-2-nitro-1-phenoxybenzene;56966-61-1;SCHEMBL1128860;DTXSID50582982;CPEIRSYGYOEBET-UHFFFAOYSA-N;MFCD13191935;AKOS010631457;CS-0194264;EN300-102185;F15575

Chemical Property of 4-Bromo-2-nitro-1-phenoxybenzene

Chemical Property:

• PSA: 55.05000
• LogP: 4.67280
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 292.96876
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

98%Min ^*data from raw suppliers

4-Bromo-2-nitro-1-phenoxybenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Technology Process of 4-Bromo-2-nitro-1-phenoxybenzene

There total 4 articles about 4-Bromo-2-nitro-1-phenoxybenzene 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: 98.0%

4-Bromo-1-fluoro-2-nitrobenzene (364-73-8) + phenol (108-95-2,27073-41-2) → 5-bromo-2--phenoxynitrobenzene (56966-61-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

DOI:10.1021/jm061127n

Reference yield: 75.0%

1,4-dibromo-2-nitrobenzene (3460-18-2) + phenol (108-95-2,27073-41-2) → 5-bromo-2--phenoxynitrobenzene (56966-61-1)

Guidance literature:

With caesium carbonate; In tetrahydrofuran; Heating / reflux;

Reference yield:

4-bromo-1-chloro-2-nitrobenzene (16588-24-2) + potassium phenolate (100-67-4) → 5-bromo-2--phenoxynitrobenzene (56966-61-1)

Guidance literature:

With 2-Butoxyethanol;

DOI:10.1021/jo01141a010

upstream raw materials:

1,4-dibromo-2-nitrobenzene

potassium phenolate

4-bromo-1-chloro-2-nitrobenzene

4-Bromo-1-fluoro-2-nitrobenzene

Downstream raw materials:

(4-bromo-2-nitro-phenyl)-(2,4-dibromo-phenyl)-ether

bis(2,4-dinitrophenyl) ether

N--(2,5-dimethoxybenzyl)-N--(2--phenoxy--5-(4,4,5,5-tetramethyl-1,3,2--dioxaborolan-2-yl)phenyl)acetamide

2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzonitrile

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