Perfluoroethylcyclohexane

Base Information

• Chemical Name: Perfluoroethylcyclohexane
• CAS No.: 335-21-7
• Molecular Formula: C8F16
• Molecular Weight: 400.062
• Hs Code.: 2903890090
• NSC Number: 4783
• UNII: K3U84ZGA5N
• DSSTox Substance ID: DTXSID20187140
• Nikkaji Number: J44.082E
• Wikidata: Q83058698
• Mol file: 335-21-7.mol

Synonyms:perfluoroethylcyclohexane;PFE-CH

Chemical Property of Perfluoroethylcyclohexane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 55.5mmHg at 25°C
• Melting Point: -70ºC
• Boiling Point: 93.8 °C at 760 mmHg
• Flash Point: 21.6 °C
• PSA: 0.00000
• Density: 1.75 g/cm³
• LogP: 5.08240
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 1
• Exact Mass: 399.9744506
• Heavy Atom Count: 24
• Complexity: 493

Purity/Quality:

99%, ^*data from raw suppliers

Perfluoro(ethylcyclohexane) 95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Cyclic Hydrocarbons
• Canonical SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F

Technology Process of Perfluoroethylcyclohexane

There total 10 articles about Perfluoroethylcyclohexane 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:

methyl 3-cyclohexylpropionate (20681-51-0) → perfluoro(1-methyl-2-ethylpentane) (354-98-3) + perfluoroethylperfluorocyclohexane (335-21-7) + perfluoro(2-methylcyclopentane) (1805-22-7) + perfluorocyclohexane (355-68-0) + perfluoro(n-propylcyclopentane) + perfluoro(1-oxaspiro<4.5>decane) (87744-16-9)

Guidance literature:

With hydrogen fluoride; at 5 - 6 ℃; for 7.31667h; Product distribution; electrochemical fluorination; anodic current density 3.5 A/dm², 5.1 - 8 .0 V; products passed on NaF;

DOI:10.1016/S0022-1139(00)84975-1

Reference yield:

methyl 2-cyclopentyl-n-butyrate → perfluoro(7-oxabicyclo<4.3.0>nonane) (55751-36-5) + perfluoroethylperfluorocyclohexane (335-21-7) + perfluoro(2-methylcyclopentane) (1805-22-7) + Sodium perfluoropentanoate (2706-89-0) + perfluoro(4-methyl-2-oxabicyclo<3.3.0>octane) (74403-40-0) + perfluoro(n-propylcyclopentane)

Guidance literature:

With hydrogen fluoride; at 5 - 6 ℃; for 8.05h; Product distribution; electrochemical fluorination; anodic current density 3.5 A/dm², 5.3 - 8.5 V; products passed on NaF;

DOI:10.1016/S0022-1139(00)84975-1

Reference yield:

perfluoro(1-ethylcyclohex-1-ene) (80308-96-9) → carbon tetrafluoride (75-73-0) + Hexafluoroethane (76-16-4) + perfluoroethylperfluorocyclohexane (335-21-7)

Guidance literature:

With fluorine; In various solvent(s); at 40 - 140 ℃; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(98)00351-0

upstream raw materials:

styrene

ethyl-cyclohexane

ethylbenzene

methyl 3-cyclohexylpropionate

Downstream raw materials:

2-perfluoroethylperfluorobenzene

Refernces

• 1、 Moldavskii, Dmitrii D.,Bispen, Tatjana A.,Kaurova, Galina I.,Furin, Georgii G.. "Technology for the preparation of perfluoro-organic compounds". . p. 157 - 167. Retrieved 2007/10/03.