2,3,4-Trifluoroaniline

Base Information

• Chemical Name: 2,3,4-Trifluoroaniline
• CAS No.: 3862-73-5
• Molecular Formula: C6H4F3N
• Molecular Weight: 147.1
• Hs Code.: 29214210
• European Community (EC) Number: 407-170-9,627-409-2
• DSSTox Substance ID: DTXSID60959469
• Nikkaji Number: J133.179E
• Wikidata: Q72510806
• Mol file: 3862-73-5.mol

Synonyms:2,3,4-Trifluoroaniline;3862-73-5;2,3,4-Trifluorobenzenamine;Benzenamine, 2,3,4-trifluoro-;2,3,4-trifluoraniline;2,3,4-trifluoro aniline;2,3,4-Trifluoro-phenylamine;Aniline, 2,3,4-trifluoro-;BRN 3245609;Benzenamine, 2,3,4-trifluoro-C198;EC 407-170-9;4-12-00-01114 (Beilstein Handbook Reference);2,3, 4-Trifluoroaniline;SCHEMBL112835;2,3,4-Trifluoroaniline, 98%;DTXSID60959469;STR04856;MFCD00011737;STL353604;AKOS000119730;CS-W010988;AC-10243;LS-28441;A6528;A6771;AM20040342;FT-0609376;T1385;EN300-19314;J-506864;F2190-0496;Z104473516;ethyl?1-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxylate

Chemical Property of 2,3,4-Trifluoroaniline

Chemical Property:

• Appearance/Colour: Pale yellow liquid
• Vapor Pressure: 0.00696mmHg at 25°C
• Melting Point: 14-15°C
• Refractive Index: n20/D 1.486(lit.)
• Boiling Point: 173.8 °C at 760 mmHg
• PKA: 2.25±0.10(Predicted)
• Flash Point: 71.8 °C
• PSA: 26.02000
• Density: 1.409 g/cm³
• LogP: 2.26730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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: 120

Purity/Quality:

99% ^*data from raw suppliers

2,3,4-Trifluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi; N
• Hazard Codes: Xn,N,Xi
• Statements: 21/22-38-41-48/22-51/53
• Safety Statements: 23-26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)F)F)F
• Uses: 2,3,4-Trifluoroaniline was used in preparation of diethyl 2-(2,3,4-trifluoro)-phenylaminomethylene malonate.

Technology Process of 2,3,4-Trifluoroaniline

There total 11 articles about 2,3,4-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: 98.52%

2,3,4-trifluoronitrobenzene (771-69-7) → 2,3,4-trifluoroaniline (3862-73-5)

Guidance literature:

With sodium hypophosphite monohydrate; 1% platinum on charcoal; hydrogen; at 65 - 80 ℃; for 2.75h; under 6750.68 Torr; Reagent/catalyst; Temperature; Autoclave;

Reference yield:

2,3,4-trifluoronitrobenzene (771-69-7) → 3,4-difluoronitrobenzene (369-34-6) + 1,2-difluoro-3-nitrobenzene (6921-22-8) + 2,3,4-trifluoroaniline (3862-73-5)

Guidance literature:

With Dimethylphenylsilane; o-phenylenebis(diphenylphosphine); potassium tert-butylate; copper(l) chloride; In tetrahydrofuran; for 12h; Overall yield = 95 %Spectr.; regioselective reaction; Inert atmosphere; Reflux;

DOI:10.1002/anie.201208364

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → 2,4,5-trifluoroaniline (367-34-0) + 2,3,4-trifluoroaniline (3862-73-5)

Guidance literature:

With trifluorormethanesulfonic acid; fluorine; at 20 ℃; Title compound not separated from byproducts;

DOI:10.1016/j.jfluchem.2005.02.013

upstream raw materials:

2,3,4-trifluoronitrobenzene

2,4-difluorophenylamine

aniline

4-fluoroaniline

Downstream raw materials:

1-bromo-2,3,4-trifluorobenzene

N-cyclopropyl-2,3,4-trifluoroaniline

2-chloro-N-(2,3,4-trifluoro-phenyl)-acetamide

C₁₃H₁₁F₂NO

Refernces

• 1、 -. "Preparation method of 3, 4, 5-trifluorobromobenzene". Paragraph 0102-0103; 0106; 0112; 0114; 0120. . Retrieved 2020/12/14.
• 2、 -. "Method for producing 2,3,4-trifluoroaniline by adopting solvent-free catalytic hydrogenation". Paragraph 0018-0033. . Retrieved 2019/01/06.