Perfluorocyclohexanecarbonitrile

Base Information

• Chemical Name: Perfluorocyclohexanecarbonitrile
• CAS No.: 51579-56-7
• Molecular Formula: C7F11N
• Molecular Weight: 307.066
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40504259
• Wikidata: Q82358617
• Mol file: 51579-56-7.mol

Synonyms:PERFLUOROCYCLOHEXANECARBONITRILE;51579-56-7;1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexane-1-carbonitrile;DTXSID40504259;MFCD09264529;AKOS005255002

Chemical Property of Perfluorocyclohexanecarbonitrile

Chemical Property:

• Vapor Pressure: 4.98mmHg at 25°C
• Refractive Index: 1.302
• Boiling Point: 144.9°C at 760 mmHg
• Flash Point: 41.5°C
• PSA: 23.79000
• Density: 1.71g/cm³
• LogP: 3.40838
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 306.98550879
• Heavy Atom Count: 19
• Complexity: 425

Purity/Quality:

98%Min ^*data from raw suppliers

Perfluorocyclohexanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F

Technology Process of Perfluorocyclohexanecarbonitrile

There total 7 articles about Perfluorocyclohexanecarbonitrile 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:

benzonitrile (100-47-0) → Pentafluorobenzonitrile (773-82-0) + perfluorocyclohexane (355-68-0) + 2-fluorobenzonitrile (394-47-8) + undecafluorocyclohexanecarbonitrile (51579-56-7)

Guidance literature:

With caesium tetrafluorocobaltate(III); at 300 ℃; for 1.5h; Product distribution; fluorination of benzonitriles over caesium tetrafluorocobaltate(III) at elevates temperatures;

Reference yield:

nonafluorocyclohex-1-enecarbonitrile (90408-45-0) → perfluoro(methylcyclohexane) (355-02-2) + undecafluorocyclohexanecarbonitrile (51579-56-7)

Guidance literature:

With cobalt (III) fluoride; at 97 ℃;

Reference yield:

benzene-1,3-dicarbonitrile (626-17-5) → perfluorocyclohexane (355-68-0) + undecafluorocyclohexanecarbonitrile (51579-56-7) + cis-decafluorocyclohexane-1,3-dicarbonitrile (75107-91-4) + trans-decafluorocyclohexane-1,3-dicarbonitrile (75107-91-4,75107-92-5)

Guidance literature:

With caesium tetrafluorocobaltate(III); at 380 - 390 ℃; for 1.5h; Yield given. Yields of byproduct given;

upstream raw materials:

undecafluorocyclohexanecarboxamide

benzene-1,3-dicarbonitrile

terephthalonitrile

Pentafluorobenzonitrile

Downstream raw materials:

methyl undecafluorocyclohexanecarboxyimidate

3-ethoxynonafluorocyclohexene

1-ethoxynonafluorocyclohexene

ethyl undecafluorocyclohexanecarboxyimidate

Refernces

• 1、 Phull, Gurjeet S.,Plevey, Raymond G.,Tatlow, John Colin. "Reactions of Polyfluorocyclohexane- and Polyfluorocyclohexene-carbonitriles". . p. 455 - 458. Retrieved 2007/10/02.