N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline

Base Information

• Chemical Name: N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
• CAS No.: 57729-98-3
• Molecular Formula: C13H6F5N3O4
• Molecular Weight: 363.1965
• DSSTox Substance ID: DTXSID2073568
• Wikidata: Q82002003

Synonyms:AI3-29375;N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline;57729-98-3;Benzenamine, N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)-;DTXSID2073568;SCHEMBL11137481;C13H6F5N3O4;C13-H6-F5-N3-O4;LS-28264

Chemical Property of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.000102mmHg at 25°C
• Boiling Point: 337.9°Cat760mmHg
• Flash Point: 158.1°C
• Density: 1.642g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 363.02784649
• Heavy Atom Count: 25
• Complexity: 509

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

Technology Process of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline

There total 2 articles about N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline 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: 25.0%

→ 2,4-difluoro-2',4'-dinitro-6'-(trifluoromethyl)diphenylamine (57729-98-3)

Guidance literature:

Reference yield:

1-chloro-2,4-dinitro-6-trifluoromethylbenzene (392-95-0) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → 2,4-difluoro-2',4'-dinitro-6'-(trifluoromethyl)diphenylamine (57729-98-3)

Guidance literature:

Reference yield:

2,4-difluoro-2',4'-dinitro-6'-(trifluoromethyl)diphenylamine (57729-98-3) → N-methyl-2,4-difluoro-2',4'-dinitro-6'-(trifluoromethyl)diphenylamine (84542-20-1)

Guidance literature:

With sodium carbonate; dimethyl sulfate; In ethanol; water; acetone;

upstream raw materials:

1-chloro-2,4-dinitro-6-trifluoromethylbenzene

2,4-difluorophenylamine

Downstream raw materials:

N-methyl-2,4-difluoro-2',4'-dinitro-6'-(trifluoromethyl)diphenylamine

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