4-(Pentafluoroethyl)aniline

Base Information

• Chemical Name: 4-(Pentafluoroethyl)aniline
• CAS No.: 60979-04-6
• Molecular Formula: C8H6F5N
• Molecular Weight: 211.134
• DSSTox Substance ID: DTXSID50548366
• Wikidata: Q82427059
• Mol file: 60979-04-6.mol

Synonyms:4-(Pentafluoroethyl)aniline;60979-04-6;4-(1,1,2,2,2-pentafluoroethyl)aniline;4-(Perfluoroethyl)aniline;4-pentafluoroethylaniline;4-pentafluoroethyl-aniline;SCHEMBL445852;DTXSID50548366;AKOS023602441;SB79351;BS-13974;CS-0283947;4-(1,1,2,2,2-Pentafluoroethyl)phenylamine;EN300-54793

Chemical Property of 4-(Pentafluoroethyl)aniline

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 211.04204001
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(F)(F)F)(F)F)N

Technology Process of 4-(Pentafluoroethyl)aniline

There total 5 articles about 4-(Pentafluoroethyl)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: 21.0%

Pentafluoroethyl iodide (354-64-3) + aniline (62-53-3) → 4-(1,1,2,2,2-pentafluoroethyl)-phenylamine (60979-04-6) + 2-pentafluoroethylaniline (60979-05-7) + 2,4-bis(pentafluoroethyl)aniline (123068-27-9) + 2,6-bis(pentafluoroethyl)aniline (123068-26-8)

Guidance literature:

With disodium hydrogenphosphate; sodium dithionite; In N,N-dimethyl-formamide; at 65 ℃; for 2h; under 750.06 Torr; also with Na₂S₂O₅, SO₂, Zn;

Reference yield:

1-nitro-4-(1,1,2,2,2-pentafluoroethyl)-benzene (60979-14-8) → 4-(1,1,2,2,2-pentafluoroethyl)-phenylamine (60979-04-6)

Guidance literature:

With iron;

Reference yield:

1-nitro-4-(1,1,2,2,2-pentafluoroethyl)-benzene (60979-14-8) + iron (7439-89-6) → 4-(1,1,2,2,2-pentafluoroethyl)-phenylamine (60979-04-6)

Guidance literature:

In ethanol; water; acetic acid;

upstream raw materials:

Pentafluoroethyl iodide

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

aniline

1-nitro-4-(1,1,2,2,2-pentafluoroethyl)-benzene