2,4,5-Trifluoroaniline

Base Information

• Chemical Name: 2,4,5-Trifluoroaniline
• CAS No.: 367-34-0
• Molecular Formula: C6H4F3N
• Molecular Weight: 147.1
• Hs Code.: 29214200
• European Community (EC) Number: 206-692-2
• NSC Number: 10289
• UNII: 84X2Y688WR
• DSSTox Substance ID: DTXSID50190147
• Nikkaji Number: J193.878I
• Wikidata: Q72510818
• Mol file: 367-34-0.mol

Synonyms:2,4,5-Trifluoroaniline;367-34-0;Benzenamine, 2,4,5-trifluoro-;84X2Y688WR;EINECS 206-692-2;NSC-10289;AI3-52252;2,4,5-trifluorophenylamine;2,4,5-trifluorobenzenamine;NSC10289;2,4,5-triflouroaniline;2,4,5-trifloro aniline;2,4,5-trifluoro-aniline;SCHEMBL11695;2,4,5-Trifluoro-phenylamine;Aniline, 2,4,5-trifluoro-;UNII-84X2Y688WR;QMYVWJVVVMIBMM-UHFFFAOYSA-;2,4,5-Trifluoroaniline, 99%;DTXSID50190147;STR06087;MFCD00007649;NSC 10289;STL195581;TD1278;AKOS006221646;AC-3745;CS-W005036;AM20060187;FT-0609801;T1645;EN300-65646;A19847;A928468;W-106590;Z1021287670

Chemical Property of 2,4,5-Trifluoroaniline

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Vapor Pressure: 0.179mmHg at 25°C
• Melting Point: 59-63 ºC
• Refractive Index: 1.573
• Boiling Point: 177.5 ºC at 760 mmHg
• PKA: 2.25±0.10(Predicted)
• Flash Point: 70 ºC
• PSA: 26.02000
• Density: 1.409 g/cm³
• LogP: 2.26730
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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:

98% ^*data from raw suppliers

2,4,5-Trifluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,T
• Hazard Codes: Xn,Xi,T
• Statements: 20/21/22-36/37/38-41-38-21/22
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)F)N

Technology Process of 2,4,5-Trifluoroaniline

There total 11 articles about 2,4,5-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: 96.5%

1,2,4-trifluoro-5-nitrobenzene (2105-61-5) → 2,4,5-trifluoroaniline (367-34-0)

Guidance literature:

With hydrogen; In methanol; at 50 - 60 ℃; under 6000.6 Torr; Autoclave;

Reference yield: 87.0%

N-(2,4,5-trifluorophenyl)acetamide (366-50-7) → 2,4,5-trifluoroaniline (367-34-0)

Guidance literature:

With hydrogenchloride; In water; for 2h; Reflux;

DOI:10.1016/j.tetlet.2009.07.013

Reference yield:

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 3-amino-2,5,6-trifluoro benzoic acid (133622-65-8) → 2,4,5-trifluoroaniline (367-34-0)

Guidance literature:

In water;

upstream raw materials:

2,4-difluorophenylamine

aniline

4-fluoroaniline

N,N-dimethyl acetamide

Downstream raw materials:

N-(2,4,5-trifluorophenyl)acetamide

1,2,4-trifluorobenzene

1-bromo-2,4,5-trifluorobenzene

Refernces

• 1、 -. "Synthetic method for 1,2,4-trifluorobenzene". Paragraph 0036; 0039. . Retrieved 2019/12/08.
• 2、 Skolyapova, Alexandrina D.,Selivanova, Galina A.,Tretyakov, Evgeny V.,Bogdanova, Tatjana F.,Shchegoleva, Lyudmila N.,Bagryanskaya, Irina Yu.,Gurskaya, Larisa Yu.,Shteingarts, Vitalij D.. "Interaction of polyfluorinated 2-chloroquinolines with ammonia". supporting information. p. 1219 - 1229. Retrieved 2017/02/18.