4-(4-Nitrophenoxy)phenol

Base Information

• Chemical Name: 4-(4-Nitrophenoxy)phenol
• CAS No.: 22479-78-3
• Molecular Formula: C12H9 N O4
• Molecular Weight: 231.208
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID60177005
• Nikkaji Number: J1.704.089H
• Wikidata: Q83047326
• Mol file: 22479-78-3.mol

Synonyms:4-(4-nitrophenoxy)phenol;4-NPOP;p-(p-nitrophenoxy)phenol

Chemical Property of 4-(4-Nitrophenoxy)phenol

Chemical Property:

• Vapor Pressure: 2.2E-06mmHg at 25°C
• Boiling Point: 382.1°Cat760mmHg
• Flash Point: 184.9°C
• PSA: 75.28000
• Density: 1.357g/cm³
• LogP: 3.61590
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 231.05315777
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Nitrophenoxy)phenol 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)O

Technology Process of 4-(4-Nitrophenoxy)phenol

There total 22 articles about 4-(4-Nitrophenoxy)phenol 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: 96.8%

1-methoxy-4-(4-nitrophenoxy)benzene (6337-24-2) → 4-(4-nitrophenoxy)phenol (22479-78-3)

Guidance literature:

With hydrogen bromide; acetic acid; for 16h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c3ra46392c

Reference yield: 93.5%

4-chlorobenzonitrile (100-00-5) + hydroquinone (123-31-9,8027-02-9) → 4-(4-nitrophenoxy)phenol (22479-78-3)

Guidance literature:

4-chlorobenzonitrile; With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 1h; Inert atmosphere;

hydroquinone; In N,N-dimethyl-formamide; at 120 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c5ra26679c

Reference yield: 90.0%

hydroquinone (123-31-9,8027-02-9) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 4-(4-nitrophenoxy)phenol (22479-78-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 8h; Inert atmosphere;

DOI:10.2174/1386207322666190701124752

upstream raw materials:

1-methoxy-4-(4-nitrophenoxy)benzene

phenol

hydroquinone

4-Fluoronitrobenzene

Downstream raw materials:

4-(4'-aminophenoxy)phenol

C₂₀H₁₇NO₄

Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[4-(4-nitro-phenoxy)-phenoxy]-tetrahydro-pyran-3-yl ester

ethyl 2-[4-(4-nitrophenoxy)phenoxy]ethylcarbamate