1-Bromo-4-(4-nitrophenoxy)benzene

Base Information

• Chemical Name: 1-Bromo-4-(4-nitrophenoxy)benzene
• CAS No.: 21969-04-0
• Molecular Formula: C12H8BrNO3
• Molecular Weight: 294.104
• Hs Code.: 2909309090
• NSC Number: 78381
• DSSTox Substance ID: DTXSID40291814
• Nikkaji Number: J2.209.069K
• Wikidata: Q82029874
• Mol file: 21969-04-0.mol

Synonyms:1-bromo-4-(4-nitrophenoxy)benzene;21969-04-0;1-(4-bromophenoxy)-4-nitrobenzene;4-Bromo-4'-nitrodiphenyl ether;NSC78381;NCIOpen2_004287;DTXSID40291814;WAA96904;MFCD00222614;NSC-78381;STK267559;AKOS000202008;Benzene, 1-bromo-4-(4-nitrophenoxy)-;BS-27773;CS-0320675;EU-0033428;F87857

Chemical Property of 1-Bromo-4-(4-nitrophenoxy)benzene

Chemical Property:

• Vapor Pressure: 3.38E-05mmHg at 25°C
• Boiling Point: 365.1°Cat760mmHg
• Flash Point: 174.6°C
• PSA: 55.05000
• Density: 1.563g/cm³
• LogP: 4.67280
• Storage Temp.: Room temperature.
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 292.96876
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-4-(4-nitrophenoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-4-(4-nitrophenoxy)benzene

There total 15 articles about 1-Bromo-4-(4-nitrophenoxy)benzene 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-phenol (106-41-2) + 4-chlorobenzonitrile (100-00-5) → 1-(4-nitrophenoxy)-4-bromobenzene (21969-04-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 - 110 ℃;

DOI:10.1021/jo901462g

Reference yield: 95.0%

4-bromo-phenol (106-41-2) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-(4-nitrophenoxy)-4-bromobenzene (21969-04-0)

Guidance literature:

With cesium fluoride/clinoptilolite; In dimethyl sulfoxide; at 110 ℃; for 0.15h;

DOI:10.1139/cjc-2015-0300

Reference yield: 95.0%

p-nitrobenzene iodide (636-98-6) + 4-bromo-phenol (106-41-2) → 1-(4-nitrophenoxy)-4-bromobenzene (21969-04-0)

Guidance literature:

With potassium carbonate; In water; at 60 ℃; for 1h;

DOI:10.1039/c4ra11411f

upstream raw materials:

4-nitrophenyl phenyl ether

4-bromo-phenol

4-chlorobenzonitrile

tetrachloromethane

Downstream raw materials:

4-hydroxy-4'-bromodiphenyl ether

acetic acid-[4-(2,4-dibromo-phenoxy)-anilide]

N-[4-(4-bromophenoxy)phenyl]acetamide

4-nitro-2',4'-dibromodiphenyl ether

Refernces

• 1、 Taherinia, Zahra,Ghorbani-Choghamarani, Arash. "Cu(I)-PNF, an organic-based nanocatalyst, catalyzed C-O and C-S cross-coupling reactions". . p. 46 - 52. Retrieved 2019/01/10.
• 2、 Keipour, Hoda,Hosseini, Abolfazl,Afsari, Amir,Oladee, Razieh,Khalilzadeh, Mohammad A.,Ollevier, Thierry. "CsF/clinoptilolite: An efficient solid base in SNAr and copper-catalyzed Ullmann reactions". . p. 95 - 104. Retrieved 2016/01/16.