Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-

Base Information

• Chemical Name: Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-
• CAS No.: 2077-99-8
• Molecular Formula: C10H10 F3 N3 O4
• Molecular Weight: 293.202
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID90174840
• Nikkaji Number: J652.798A
• Wikidata: Q83045001
• Mol file: 2077-99-8.mol

Synonyms:2077-99-8;Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-;2,6-Dinitro-N-propyl-4-(trifluoromethyl)benzenamine;2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline;SCHEMBL11574765;DTXSID90174840;C10H10F3N3O4;QXXIZJPWGJDHKR-UHFFFAOYSA-N;AKOS001033708;C10-H10-F3-N3-O4;(Dinitro-trifluoromethyl-phenyl)-propyl-amine;2,6-Dinitro-4-(trifluoromethyl)-N-propylaniline;SR-01000025615;SR-01000025615-1;2,6-dinitro-N-propyl-4-(trifluoro-methyl)benzenamine;Z55324415

Chemical Property of Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.000114mmHg at 25°C
• Boiling Point: 336.2°Cat760mmHg
• Flash Point: 157.2°C
• PSA: 103.67000
• Density: 1.472g/cm³
• LogP: 4.46310
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 293.06234029
• Heavy Atom Count: 20
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Technology Process of Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-

There total 5 articles about Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)- 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: 62.0%

propylamine (107-10-8,42939-71-9) + 4-chloro-3,5-dinitrobenzotrifluoride (393-75-9) → α,α,α-trifluoro-2,6-dinitro-N-propyl-p-toluidine (2077-99-8)

Guidance literature:

With triethylamine; In ethanol; for 1h; Heating;

Reference yield:

propylamine (107-10-8,42939-71-9) + phenyl 2,6-dinitro-4-trifluoromethylphenyl ether (17811-45-9) → α,α,α-trifluoro-2,6-dinitro-N-propyl-p-toluidine (2077-99-8)

Guidance literature:

In acetonitrile; at 25 ℃; Concentration; Kinetics;

DOI:10.1002/poc.3687

Reference yield:

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine (1582-09-8,71281-30-6,75635-23-3,89300-31-2) → 2-ethyl-4-nitro-6-(trifluoromethyl)-1H-benzimidazole (51026-15-4) + α,α,α-trifluoro-2,6-dinitro-N-propyl-p-toluidine (2077-99-8)

Guidance literature:

With 2,3-Dimethyl-2-butene; ozone; Kinetics;

DOI:10.1016/j.chemosphere.2006.09.023

upstream raw materials:

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine

propylamine

4-chloro-3,5-dinitrobenzotrifluoride

phenyl 2,6-dinitro-4-trifluoromethylphenyl ether

Downstream raw materials:

α,α,α-Trifluoro-2,6-dinitro-p-cresol

2-ethyl-7-nitro-5-trifluoromethyl-1H-benzimidazole 3-oxide

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