2,3,4,5,6-PENTAFLUOROANISOLE

Base Information

• Chemical Name: 2,3,4,5,6-PENTAFLUOROANISOLE
• CAS No.: 389-40-2
• Molecular Formula: C7H3F5O
• Molecular Weight: 198.092
• Hs Code.: 2909309090
• European Community (EC) Number: 206-866-8
• NSC Number: 21631
• UNII: 6MCA96C92G
• DSSTox Substance ID: DTXSID2059938
• Nikkaji Number: J208.895I
• Wikidata: Q81989009
• Mol file: 389-40-2.mol

Synonyms:Methyl pentafluorophenyl ether;1,2,3,4,5-Pentafluoro-6-methoxy-benzene;2,3,4,5,6-Pentafluoroanisole;

Chemical Property of 2,3,4,5,6-PENTAFLUOROANISOLE

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 30.9mmHg at 25°C
• Melting Point: -38--37°C
• Refractive Index: n20/D 1.409(lit.)
• Boiling Point: 139.1 °C at 760 mmHg
• Flash Point: 32.2 °C
• PSA: 9.23000
• Density: 1.472 g/cm³
• LogP: 2.39070
• Storage Temp.: Flammables area
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.01040553
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

Pentafluoroanisole >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 16-29-33

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of 2,3,4,5,6-PENTAFLUOROANISOLE

There total 11 articles about 2,3,4,5,6-PENTAFLUOROANISOLE 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: 82.0%

methanol (67-56-1) + Hexafluorobenzene (392-56-3) → Pentafluoroanisole (389-40-2)

Guidance literature:

With potassium hydroxide; at 35 - 45 ℃;

Reference yield:

Hexafluorobenzene (392-56-3) → Pentafluoroanisole (389-40-2)

Guidance literature:

With methanol; sodium methylate;

DOI:10.1126/science.127.3299.643 DOI:10.1038/178199a0

Reference yield:

(+/-)-1rH,2cH,4cH-nonafluoro-cyclohexane (356-34-3,22150-51-2,51209-00-8,82086-94-0) → Pentafluoroanisole (389-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous KOH-solution

2: methanol

With methanol; potassium hydroxide;

DOI:10.1038/178199a0

upstream raw materials:

Hexafluorobenzene

sodium methylate

diazomethane

2,3,4,5,6-pentafluorophenol

Downstream raw materials:

2,3,4,5,6-pentafluorophenol

tetraphenylethane-1,2-diol

(2,3,4,6-tetrafluoro-5-methoxyphenyl)cyclohexane

(2,3,5,6-tetrafluoro-4-methoxyphenyl)cyclohexane

Refernces

• 1、 -. "A five-fluoro phenol preparation method". Paragraph 0092; 0093; 0094; 0097; 0098. . Retrieved 2018/03/24.
• 2、 Malykhin, E. V.,Kolesnichenko, G. A.,Shteingarts, V. D.. "REACTION OF AROMATIC COMPOUNDS WITH NUCLEOPHILIC REAGENTS IN LIQUID AMMONIA. V. THE MECHANISM AND DIRECTION OF HYDROXYLATION OF p-SUBSTITUTED NITROBENZENES WITH POTASSIUM HYDROXIDE". . p. 1048 - 1056. Retrieved 2007/10/02.