2,4,6-Trifluoroaniline

Base Information

• Chemical Name: 2,4,6-Trifluoroaniline
• CAS No.: 363-81-5
• Molecular Formula: C6H4F3N
• Molecular Weight: 147.1
• Hs Code.: 29214200
• European Community (EC) Number: 206-660-8
• DSSTox Substance ID: DTXSID80189842
• Nikkaji Number: J41H
• Wikidata: Q69757062
• Mol file: 363-81-5.mol

Synonyms:2,4,6-Trifluoroaniline;363-81-5;2-Amino-1,3,5-trifluorobenzene;Benzenamine, 2,4,6-trifluoro-;EINECS 206-660-8;2,4,6-Trifluorobenzenamine;2,4,6 trifluoroaniline;2,4,6-tri-fluoroaniline;2,4,6-trifluoro-aniline;2, 4, 6-trifluoroaniline;2,4,6-Trifluoro-phenylamine;SCHEMBL113484;DTXSID80189842;2,4,6-Trifluoroaniline, >=97%;MFCD00007650;AZODICARBOXYLICACIDDIMETHYLESTER;AKOS000149988;AC-3709;DS-1804;AM20040283;CS-0063180;FT-0609859;T1038;EN300-86057;A19471;W-106620

Chemical Property of 2,4,6-Trifluoroaniline

Chemical Property:

• Appearance/Colour: colorless to light grey crystals
• Vapor Pressure: 0.111mmHg at 25°C
• Melting Point: 33-37 °C(lit.)
• Refractive Index: 1.544
• Boiling Point: 151.7 °C at 760 mmHg
• PKA: 1.87±0.10(Predicted)
• Flash Point: 57.8 °C
• PSA: 26.02000
• Density: 1.409 g/cm³
• LogP: 2.26730
• Storage Temp.: Flammables area
• Water Solubility.: Insoluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 147.02958362
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trifluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn,F
• Hazard Codes: Xi,Xn,F
• Statements: 36/37-41-38-21/22-11-37/38
• Safety Statements: 26-39-36/37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)N)F)F
• Uses: 2,4,6-Trifluoroaniline was used in the synthesis of 3-nitro-2,4,6 -trifluoroacetanilide; eries of N?-phenyl-N-(1- phenyl cyclopentyl)-methyl ureas and 4-substituted 2,6-difluoro N-aryl pyridinones. 2,4,6-Trifluoroaniline was used in the synthesis of:3-nitro-2,4,6 -trifluoroacetanilideseries of N′-phenyl-N-(1- phenyl cyclopentyl)-methyl ureas4-substituted 2,6-difluoro N-aryl pyridinones

Technology Process of 2,4,6-Trifluoroaniline

There total 3 articles about 2,4,6-Trifluoroaniline 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: 90.0%

1,3,5-trifluorobenzene (372-38-3) → 2,4,6-trifluoroaniline (363-81-5)

Guidance literature:

1,3,5-trifluorobenzene; With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; trifluorormethanesulfonic acid; C₈H₉F₃NO₃S⁽¹⁺⁾*CF₃O₃S^(1-); In acetonitrile; at 23 - 25 ℃; for 24h; Sealed tube; Irradiation;

With propylamine; In acetonitrile; at 23 ℃;

DOI:10.1002/anie.201810262

Reference yield: 89.0%

1,2-bis(2,4,6-trifluorophenyl)diazene (69642-02-0) → 2,4,6-trifluoroaniline (363-81-5)

Guidance literature:

With ammonium formate; zinc; In methanol; at 20 ℃; for 1h;

Reference yield:

→ 2,4,6-trifluoroaniline (363-81-5)

Guidance literature:

/BRN= 3245609/;

DOI:10.1021/ja01145a055

upstream raw materials:

1,2-bis(2,4,6-trifluorophenyl)diazene

1,3,5-trifluorobenzene

Downstream raw materials:

1,3,5-trifluoro-2-isocyanatobenzene

2,4,6-F₃C₆H₂NSO

3-(2,4,6-trifluorophenyl)-2,4(1H,3H)-quinazolinedione

N-(2,4,6-trifluorophenyl)-2-nonyl-1,2,3,4-tetrahydronapth-2-yl carboxamide

Refernces

• 1、 -. "Process for preparing fluorinated anilines". Page/Page column 6. . Retrieved 2008/06/13.