2,3,5,6-Tetrafluoroaniline

Base Information

• Chemical Name: 2,3,5,6-Tetrafluoroaniline
• CAS No.: 700-17-4
• Molecular Formula: C6H3 F4 N
• Molecular Weight: 165.09
• Hs Code.: 2921420090
• European Community (EC) Number: 211-840-4
• NSC Number: 88347
• UNII: L6G8W27VFU
• DSSTox Substance ID: DTXSID30220259
• Nikkaji Number: J90F
• Wikidata: Q72505052
• Mol file: 700-17-4.mol

Synonyms:2,3,5,6-TETRAFLUOROANILINE;700-17-4;2,3,5,6-Tetrafluoraniline;Benzenamine, 2,3,5,6-tetrafluoro-;L6G8W27VFU;EINECS 211-840-4;NSC 88347;NSC-88347;2,3,5,6-Tetrafluorobenzenamine;NSC88347;MFCD00007644;UNII-L6G8W27VFU;SCHEMBL461597;2,3,5, 6-tetrafluoroaniline;2,3,5,6-tetrafluoro-aniline;DTXSID30220259;Aniline, 2,3,5,6-tetrafluoro-;BBL027651;STK301533;2,3,5,6-Tetrafluoroaniline, 97%;1-Amino-2,3,5,6-tetrafluorobenzene;AKOS000120692;SB76283;AC-13876;BP-10065;PS-10169;AM20041041;CS-0121649;FT-0609420;T1028;EN300-21012;A836739;Z104486110

Chemical Property of 2,3,5,6-Tetrafluoroaniline

Chemical Property:

• Appearance/Colour: White mass
• Vapor Pressure: 2.72mmHg at 25°C
• Melting Point: 29-33 ºC
• Boiling Point: 158 ºC
• PKA: -0.22±0.10(Predicted)
• Flash Point: 62 ºC
• PSA: 26.02000
• Density: 1.52 g/cm³
• LogP: 2.40640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: perchloric acid: soluble
• 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: 129

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-Tetrafluoroaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,3,5,6-Tetrafluoroaniline

There total 24 articles about 2,3,5,6-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: 98.0%

4-amino-2,3,5,6-tetrafluorobenzonitrile (17823-38-0) → 2,3,5,6-tetrafluoroaniline (700-17-4)

Guidance literature:

With sulfuric acid; In water; at 100 - 130 ℃; for 18h;

Reference yield: 94.0%

→ 2,3,5,6-tetrafluoroaniline (700-17-4) + 4-amino-2,3,5,6-tetrafluorobenzonitrile (17823-38-0)

Guidance literature:

Reference yield: 90.0%

2,2',3,3',5,5',6,6'-octafluorodiazoaminobenzene → 2,3,5,6-tetrafluoroaniline (700-17-4)

Guidance literature:

With water; fluorosulphonic acid; potassium hydrogencarbonate; Product distribution; 1.) 3 h, 20 deg C; further acids;

DOI:10.1016/S0022-1139(00)85190-8

upstream raw materials:

(4-bromo-2,3,5,6-tetrafluorophenyl)hydrazine

2,3,4,5,6-pentafluoroaniline

1,4-dihydrazino-tetrafluorobenzene

1-chloro-2,3,4,5,6-pentafluorobenzene

Downstream raw materials:

4-H-tetrafluorphenylcarbonimidoyldichlorid

C₁₄H₁₀F₄N₂O₃S

N-(2,3,5,6-Tetrafluor-phenyl)(pentafluorphenyl)carbonimidoylchlorid

2,2',3,3',5,5',6,6'-octafluoroazobenzene

Refernces

• 1、 -. "Preparation method of polyfluoroaniline". . . Retrieved 2018/08/03.
• 2、 Politanskaya, Larisa V.,Shteingarts, Vitalij D.,Tretyakov, Evgeny V.. "General and efficient synthesis of polyfluorinated 2-aminotolans and 2-arylindoles". . p. 85 - 98. Retrieved 2016/07/19.