2,3,5-Trifluoroaniline

Base Information

• Chemical Name: 2,3,5-Trifluoroaniline
• CAS No.: 363-80-4
• Molecular Formula: C6H4F3N
• Molecular Weight: 147.1
• Hs Code.: 2921420090
• European Community (EC) Number: 640-285-4
• DSSTox Substance ID: DTXSID40380297
• Nikkaji Number: J3.512.245A
• Wikidata: Q72510813
• Mol file: 363-80-4.mol

Synonyms:2,3,5-trifluoroaniline;363-80-4;Benzenamine, 2,3,5-trifluoro-;MFCD00083549;2,3,5-Trifluoro Aniline;2,3,5-Trifluoro-phenylamine;2,3,5-Trifluoro-aniline;SCHEMBL114114;DTXSID40380297;AMGDNQWQBWPRPR-UHFFFAOYSA-N;TD1246;AKOS006229398;AM61924;CS-W018218;SB75438;AC-28644;BP-11146;DS-12770;SY109514;FT-0609449;EN300-65648;J3.512.245A;A19774;A900661

Chemical Property of 2,3,5-Trifluoroaniline

Chemical Property:

• Vapor Pressure: 1.17mmHg at 25°C
• Melting Point: 110-113?°C
• Refractive Index: 1.495
• Boiling Point: 175 °C at 760 mmHg
• PKA: 1.18±0.10(Predicted)
• Flash Point: 68.7 °C
• PSA: 26.02000
• Density: 1.409 g/cm³
• LogP: 2.26730
• Storage Temp.: Keep in dark place,Inert atmosphere,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%,99%, ^*data from raw suppliers

2,3,5-Trifluoroaniline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)F)F)F

Technology Process of 2,3,5-Trifluoroaniline

There total 8 articles about 2,3,5-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: 84.0%

N-(2,3,5-trifluoro-4-(trifluoromethyl)phenyl)acetamide → 2,3,5-trifluoro aniline (363-80-4)

Guidance literature:

With sulfuric acid; at 150 ℃; for 2h;

DOI:10.1016/j.tetlet.2009.07.013

Reference yield: 75.0%

1,2,3,5-tetrafluorobenzene (2367-82-0) → 2,3,5-trifluoro aniline (363-80-4)

Guidance literature:

With ammonia; at -33 - 115 ℃; for 36h; regioselective reaction; Autoclave; Sealed tube;

DOI:10.1016/j.jfluchem.2015.09.003

Reference yield:

1,2,5-trifluoro-3-nitrobenzene (66684-57-9) → 2,3,5-trifluoro aniline (363-80-4)

Guidance literature:

With hydrogen; In water; at 70 ℃; for 2h; under 15001.5 Torr; chemoselective reaction; Autoclave;

DOI:10.1016/j.mcat.2019.04.008

upstream raw materials:

N-(2,3,5,6-tetrafluorophenyl)acetamide

4-amino-2,5,6-trifluoroisophthalic acid diamide

1,2,3,5-tetrafluorobenzene

aniline

Downstream raw materials:

2,5-difluoro-1,3-phenylenediamine

(2,4,5-trifluorophenyl)acetic acid

1,2,4-trifluorobenzene

1-bromo-2,4,5-trifluorobenzene

Refernces

• 1、 Hu, Ao,Lu, Xinhuan,Cai, Dongming,Pan, Haijun,Jing, Run,Xia, Qinghua,Zhou, Dan,Xia, Yongde. "Selective hydrogenation of nitroarenes over MOF-derived Co@CN catalysts at mild conditions". . p. 27 - 36. Retrieved 2019/05/04.
• 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.