3-(1,1,2,2-Tetrafluoroethoxy)aniline

Base Information

• Chemical Name: 3-(1,1,2,2-Tetrafluoroethoxy)aniline
• CAS No.: 831-75-4
• Molecular Formula: C8H7F4NO
• Molecular Weight: 209.143
• Hs Code.: 29222990
• European Community (EC) Number: 212-610-6
• DSSTox Substance ID: DTXSID7061196
• Nikkaji Number: J195.097E
• Wikidata: Q72505117
• Mol file: 831-75-4.mol

Synonyms:3-(1,1,2,2-Tetrafluoroethoxy)aniline;831-75-4;Benzenamine, 3-(1,1,2,2-tetrafluoroethoxy)-;EINECS 212-610-6;3-(1,1,2,2-Tetrafluoroethoxy)benzenamine;C8H7F4NO;3-tetrafluoroethoxyaniline;SCHEMBL1560;3-(tetrafluoroethoxy)aniline;DTXSID7061196;C8-H7-F4-N-O;MFCD00042457;AKOS015891044;AT23341;PS-8027;3-(1,1,2,2-tetrafluoro-ethoxy)-aniline;3-(1,1,2,2-Tetrafluoroethoxy)-benzenamine;FT-0613476;3-(1,1,2,2-Tetrafluoroethoxy)aniline, 97%;EN300-7363250

Chemical Property of 3-(1,1,2,2-Tetrafluoroethoxy)aniline

Chemical Property:

• Vapor Pressure: 0.0485mmHg at 25°C
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 236 °C at 760 mmHg
• PKA: 3.68±0.10(Predicted)
• Flash Point: 96.5 °C
• PSA: 35.25000
• Density: 1.354 g/cm³
• LogP: 3.08670
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 209.04637650
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

3-(1,1,2,2-Tetrafluoroethoxy)aniline 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC(C(F)F)(F)F)N
• Uses: 3-(1,1,2,2-Tetrafluoroethoxy)aniline may be used in chemical synthesis.

Technology Process of 3-(1,1,2,2-Tetrafluoroethoxy)aniline

There total 1 articles about 3-(1,1,2,2-Tetrafluoroethoxy)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:

→ 3-(1,1,2,2-tetrafluoroethoxy)aniline (831-75-4)

Guidance literature:

m-Aminophenol, C2F4;

Reference yield: 62.0%

3-(1,1,2,2-tetrafluoroethoxy)aniline (831-75-4) + phenyltetrachlorophosphorane (4895-65-2) → C14H10Cl2F4NOP (76616-15-4)

Guidance literature:

In 1,2-dichloro-ethane; Heating;

Reference yield: 46.0%

3-(1,1,2,2-tetrafluoroethoxy)aniline (831-75-4) + Diphenyliodonium-2-carboxylate (1488-42-2,109545-72-4) → 2-[3-(1,1,2,2-Tetrafluoro-ethoxy)-phenylamino]-benzoic acid

Guidance literature:

With copper diacetate; In isopropyl alcohol; for 6h; Heating;

DOI:10.1021/jm00061a019

Downstream raw materials:

2-[4-(4-Chloro-phenoxy)-phenoxy]-N-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-propionamide

4,4-sulfonylbis(3'-(1,1,2,2-tetrafluoroethoxy)carbanilide)

3-(3-[1',1',2',2'-tetrafluoroethoxy]phenyl)-1,1-dimethylurea

C₁₁H₁₂F₄N₂O₃

Refernces