1-(4-Chlorophenoxy)-2,4-dinitrobenzene

Base Information

• Chemical Name: 1-(4-Chlorophenoxy)-2,4-dinitrobenzene
• CAS No.: 2548-96-1
• Molecular Formula: C12H7 Cl N2 O5
• Molecular Weight: 294.651
• European Community (EC) Number: 667-597-3
• NSC Number: 39653
• DSSTox Substance ID: DTXSID10284899
• Nikkaji Number: J1.117.019F
• Wikidata: Q82020074
• Mol file: 2548-96-1.mol

Synonyms:1-(4-chlorophenoxy)-2,4-dinitrobenzene;2548-96-1;NSC39653;Oprea1_624668;SCHEMBL11600913;DTXSID10284899;NSC-39653;STK388256;AKOS000741520

Chemical Property of 1-(4-Chlorophenoxy)-2,4-dinitrobenzene

Chemical Property:

• Vapor Pressure: 6.3E-06mmHg at 25°C
• Boiling Point: 389.6°Cat760mmHg
• Flash Point: 189.4°C
• Density: 1.505g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 294.0043490
• Heavy Atom Count: 20
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Technology Process of 1-(4-Chlorophenoxy)-2,4-dinitrobenzene

There total 10 articles about 1-(4-Chlorophenoxy)-2,4-dinitrobenzene 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: 80.0%

4-chloro-phenol (106-48-9,82344-39-6) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 1-(4-chlorophenoxy)-2,4-dinitrobenzene (2548-96-1)

Guidance literature:

4-chloro-phenol; With sodium hydroxide; Tulsion A-27; In water; for 1h;

1-chloro-2,4-dinitro-benzene; In acetonitrile; at 25 ℃; for 0.166667h;

Reference yield:

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + 4-chloro-phenol (106-48-9,82344-39-6) → 1-(4-chlorophenoxy)-2,4-dinitrobenzene (2548-96-1)

Guidance literature:

With triethylamine; acetone;

DOI:10.1021/jo01363a642

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → 1-(4-chlorophenoxy)-2,4-dinitrobenzene (2548-96-1)

Guidance literature:

With water;

upstream raw materials:

2,4-Dinitrofluorobenzene

4-chloro-phenol

1-chloro-2,4-dinitro-benzene

4-chlorophenolate

Downstream raw materials:

2,4-dinitro-1-ethoxybenzene

1-azido-2,4-dinitrobenzene

1-(2,4-dinitrophenyl)piperidine

2,4-Dinitrophenol

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