2',3',4',5'-Tetrafluoroacetophenone

Base Information

• Chemical Name: 2',3',4',5'-Tetrafluoroacetophenone
• CAS No.: 66286-21-3
• Molecular Formula: C8H4 F4 O
• Molecular Weight: 192.11
• Hs Code.: 2914700090
• European Community (EC) Number: 633-159-5
• DSSTox Substance ID: DTXSID50404498
• Nikkaji Number: J1.489.926J
• Wikidata: Q72509621
• Mol file: 66286-21-3.mol

Synonyms:66286-21-3;2',3',4',5'-Tetrafluoroacetophenone;1-(2,3,4,5-tetrafluorophenyl)ethanone;2',3',4',5'-Tertafluoroacetophenone;2,3,4,5-TETRAFLUOROACETOPHENONE;MFCD00134310;1-(2,3,4,5-Tetrafluorophenyl)ethan-1-one;SCHEMBL823828;DTXSID50404498;AKOS006228856;AC-3623;AM62072;CS-W015825;2,3,4,5-tetrafluorophenyl methyl ketone;MS-20803;Ethanone, 1-(2,3,4,5-tetrafluorophenyl)-;FT-0641058;A19686;N12051;EN300-1829764

Chemical Property of 2',3',4',5'-Tetrafluoroacetophenone

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Refractive Index: n20/D 1.453(lit.)
• Boiling Point: 83-84 °C20 mm Hg(lit.)
• Flash Point: 156 °F
• PSA: 17.07000
• Density: 1.408 g/mL at 25 °C(lit.)
• LogP: 2.44560
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.01982740
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

2'',3'',4'',5''-Tetrafluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-26-28-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2',3',4',5'-Tetrafluoroacetophenone

There total 2 articles about 2',3',4',5'-Tetrafluoroacetophenone 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:

2',3',4',5',6'-pentafluoroacetophenone (652-29-9) → 2',3',4',5'-tetrafluoroacetophenone (66286-21-3) + 1-(2,3,5,6-tetrafluorophenyl)ethan-1-one

Guidance literature:

With 4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [t-BuXantphosAu]⁺[Cl-Au-Cl]^-; diphenylsilane; acetic acid; In 1,2-dichloro-ethane; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201100843

Reference yield:

→ 2',3',4',5'-tetrafluoroacetophenone (66286-21-3)

Guidance literature:

Carbinol VI, CrO3, CH3COOH, Oxid.;

Reference yield: 82.0%

2',3',4',5'-tetrafluoroacetophenone (66286-21-3) + benzaldehyde (100-52-7) → (E)-1-(2,3,4,5-tetrafluorophenyl)-3-phenylprop-2-en-1-one (1155309-45-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃;

DOI:10.1039/b821042j

upstream raw materials:

2',3',4',5',6'-pentafluoroacetophenone

Downstream raw materials:

2,2,2-trifluoro-1-(4-fluorophenyl)ethanol

(E)-1-(2,3,4,5-tetrafluorophenyl)-3-phenylprop-2-en-1-one

Refernces

• 1、 -. "1,1-Diphenylethene derivatives as microbicides". . . Retrieved 2008/06/13.