3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine

Base Information

• Chemical Name: 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine
• CAS No.: 116714-47-7
• Molecular Formula: C9H6ClF6NO2
• Molecular Weight: 309.596
• DSSTox Substance ID: DTXSID10576660
• Mol file: 116714-47-7.mol

Synonyms:3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine;

Chemical Property of 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine

Chemical Property:

• Appearance/Colour: Kind of white to yellow powder
• Vapor Pressure: 0.0017mmHg at 25°C
• Refractive Index: 1.451
• Boiling Point: 293.7 °C at 760 mmHg
• PKA: 3.07±0.10(Predicted)
• Flash Point: 131.4 °C
• PSA: 44.48000
• Density: 1.546 g/cm³
• LogP: 4.30700
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 308.9991251
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

97% ^*data from raw suppliers

3-CHLORO-4-[1,1,2-TRIFLUORO-2-(TRIFLUOROMETHOXY)ETHOXY]BENZENAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)Cl)OC(C(OC(F)(F)F)F)(F)F

Technology Process of 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine

There total 3 articles about 3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzenamine 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: 98.0%

trifluoromethyl trifluorovinyl ether (1187-93-5) + 2-chloro 4-aminophenol (3964-52-1) → 3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline (116714-47-7)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; toluene; at 0 ℃; for 3h;

Reference yield:

perfluoro-vinyl-perfluoromethyl ether (116543-13-6) + 2-chloro 4-aminophenol (3964-52-1) → 3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline (116714-47-7)

Guidance literature:

With dimethyl sulfoxide; In water; toluene;

Reference yield:

→ 3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline (116714-47-7)

Guidance literature:

upstream raw materials:

trifluoromethyl trifluorovinyl ether

2-chloro 4-aminophenol

perfluoro-vinyl-perfluoromethyl ether

Downstream raw materials:

1-(2-Chloro-benzoyl)-3-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxy-ethoxy)-phenyl]-urea

1-benzoylurea

1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea

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