2,3,4,6-Tetrafluoroaniline

Base Information

• Chemical Name: 2,3,4,6-Tetrafluoroaniline
• CAS No.: 363-73-5
• Molecular Formula: C6H3F4N
• Molecular Weight: 165.09
• Hs Code.: 2921420090
• European Community (EC) Number: 206-659-2
• DSSTox Substance ID: DTXSID20189841
• Nikkaji Number: J193.866E
• Wikidata: Q72505047
• Mol file: 363-73-5.mol

Synonyms:2,3,4,6-Tetrafluoroaniline;363-73-5;Benzenamine, 2,3,4,6-tetrafluoro-;C6H3F4N;EINECS 206-659-2;MFCD00069077;SCHEMBL1032872;DTXSID20189841;2,4,5,6-TETRAFLUOROANILINE;2,3,4,6-Tetrafluoroaniline, 98%;AKOS015854350;SB76091;FT-0609360;F87362;6984-96-9

Chemical Property of 2,3,4,6-Tetrafluoroaniline

Chemical Property:

• Vapor Pressure: 2.02mmHg at 25°C
• Melting Point: 23-26
• Refractive Index: n20/D 1.462(lit.)
• Boiling Point: 163.9 °C at 760 mmHg
• PKA: 0.85±0.10(Predicted)
• Flash Point: 55.8 °C
• PSA: 26.02000
• Density: 1.52g/cm³
• LogP: 2.40640
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 165.02016175
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99%, ^*data from raw suppliers

2,3,4,6-Tetrafluoroaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XnT
• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,3,4,6-Tetrafluoroaniline

There total 11 articles about 2,3,4,6-Tetrafluoroaniline 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: 98.9%

methanol (67-56-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-methoxypropan-2-ol (4151-97-7)

Guidance literature:

With Nafion NR₅₀; at 65 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acs.oprd.9b00411

Reference yield: 94.0%

3-chloroprop-1-ene (107-05-1) → 1-chloro-3-methoxypropan-2-ol (4151-97-7) + 3-monochloro-1,2-propanediol (96-24-2) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7)

Guidance literature:

With dihydrogen peroxide; TS-1; In methanol; water; 1,2-dichloro-benzene; at 25 - 40 ℃; for 1h; Product distribution / selectivity;

Reference yield: 84.0%

methanol (67-56-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-methoxypropan-2-ol (4151-97-7) + 3-chloro-2-methoxy-propan-1-ol (2858-55-1)

Guidance literature:

With Montmorillonite K₁₀-H⁺; at 65 ℃; for 2h; regiospecific reaction; Inert atmosphere;

DOI:10.1021/acs.oprd.9b00411

upstream raw materials:

1,2,3,5-tetrafluoro-4-nitrobenzene

glycerol 1-monomethyl ether

methanol

epichlorohydrin

Downstream raw materials:

3-(2,3,4,6-tetrafluorophenyl)imino-2H-indol-2-one

3-H-C₆F₄NHNH₂

N-2,3,4,6-tetrafluorophenyl-N'-2,6-difluorobenzoylurea

C₁₆H₈F₄N₂O₂S

Refernces

• 1、 Chaudhary, Pooja,Deepa,Meena, Dhan Raj,Aalam, Mohd Jubair,Yadav, Geeta Devi,Singh, Surendra. "Cellulose sulfate: An efficient heterogeneous catalyst for the ring-opening of epoxides with alcohols and anilines". supporting information. p. 1834 - 1846. Retrieved 2021/05/10.
• 2、 Rahmatpour, Ali,Zamani, Maryam. "MBA-cross-linked poly(N-vinyl-2-pyrrolidone)/ferric chloride macromolecular coordination complex as a novel and recyclable Lewis acid catalyst: Synthesis, characterization, and performance toward for regioselective ring-opening alcoholysis of epoxides". . . Retrieved 2021/09/30.