4-Chloro-2-nitro-5-phenoxyaniline

Base Information

• Chemical Name: 4-Chloro-2-nitro-5-phenoxyaniline
• CAS No.: 20066-54-0
• Molecular Formula: C12H9ClN2O3
• Molecular Weight: 264.668
• DSSTox Substance ID: DTXSID40541801
• Wikidata: Q82418244

Synonyms:4-Chloro-2-nitro-5-phenoxyaniline;20066-54-0;SCHEMBL11100238;DTXSID40541801

Chemical Property of 4-Chloro-2-nitro-5-phenoxyaniline

Chemical Property:

• PSA: 81.07000
• LogP: 4.72710
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.0301698
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-2-nitro-5-phenoxyaniline

There total 2 articles about 4-Chloro-2-nitro-5-phenoxyaniline 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: 92.0%

4,5-dichloro-2-nitroaniline (6641-64-1) + phenol (108-95-2,27073-41-2) → 2-chloro-4-nitro-5-amino-1,1'-diphenyl ether (20066-54-0)

Guidance literature:

In sodium hydroxide; chlorobenzene;

Reference yield:

→ 2-chloro-4-nitro-5-amino-1,1'-diphenyl ether (20066-54-0)

Guidance literature:

entspr.Phenol, entspr.Dichlorverb.;

Reference yield:

2-chloro-4-nitro-5-amino-1,1'-diphenyl ether (20066-54-0) → 4-Chlor-5-phenoxy-1,2-phenylenediamin (20066-55-1)

Guidance literature:

With hydrazine hydrate; In ethanol; at 60 - 80 ℃;

upstream raw materials:

4,5-dichloro-2-nitroaniline

phenol

Downstream raw materials:

4-Chlor-5-phenoxy-1,2-phenylenediamin

C₂₀H₁₅ClN₂O₂

C₂₀H₁₃Cl₃N₂O₂

C₂₀H₁₃Cl₂N₃O₄

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