1-(4-Iodophenoxy)-4-nitrobenzene

Base Information

• Chemical Name: 1-(4-Iodophenoxy)-4-nitrobenzene
• CAS No.: 21969-05-1
• Molecular Formula: C12H8INO3
• Molecular Weight: 341.105
• DSSTox Substance ID: DTXSID501302993
• Nikkaji Number: J2.209.585D
• Mol file: 21969-05-1.mol

Synonyms:1-(4-iodophenoxy)-4-nitrobenzene;21969-05-1;1-Iodo-4-(4-nitrophenoxy)benzene;Benzene, 1-iodo-4-(4-nitrophenoxy)-;4-(4iodophenoxy)-nitrobenzene;SCHEMBL4612005;(4-Iodophenoxy)-4-nitrobenzene;4-(4-iodophenoxy)-nitrobenzene;4-(4'-iodophenoxy) nitrobenzene;HVIBZWDKOFXLDD-UHFFFAOYSA-N;DTXSID501302993;MFCD18207457;AKOS008924142;F72363

Chemical Property of 1-(4-Iodophenoxy)-4-nitrobenzene

Chemical Property:

• PSA: 55.05000
• LogP: 4.51490
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 340.95489
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Iodophenoxy)-4-nitrobenzene 97% ^*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)I

Technology Process of 1-(4-Iodophenoxy)-4-nitrobenzene

There total 7 articles about 1-(4-Iodophenoxy)-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: 99.0%

p-Iodophenol (540-38-5) + 4-chlorobenzonitrile (100-00-5) → 1-(4-nitrophenoxy)-4-iodobenzene (21969-05-1)

Guidance literature:

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

DOI:10.1021/jo901462g

Reference yield: 95.0%

p-Iodophenol (540-38-5) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-(4-nitrophenoxy)-4-iodobenzene (21969-05-1)

Guidance literature:

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

DOI:10.1139/cjc-2015-0300

Reference yield:

4-phenoxyiodobenzene (2974-94-9) → 1-(4-nitrophenoxy)-4-iodobenzene (21969-05-1)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid; at 40 - 50 ℃;

DOI:10.1021/ja01316a035

upstream raw materials:

4-nitrophenyl phenyl ether

4-phenoxyiodobenzene

p-Iodophenol

4-Fluoronitrobenzene

Downstream raw materials:

4-(4-nitrophenoxy)-(trifluoromethylthio)benzene

4-(4-iodo-phenoxy)-aniline

bis(4-iodophenyl) ether

4-(4'-nitrophenoxy)phenylacetylene

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