Perfluoro-1,3-dimethylcyclohexane

Base Information

• Chemical Name: Perfluoro-1,3-dimethylcyclohexane
• CAS No.: 335-27-3
• Deprecated CAS: 79956-40-4
• Molecular Formula: C8F16
• Molecular Weight: 400.062
• Hs Code.: 29038900
• European Community (EC) Number: 206-386-9
• NSC Number: 4782
• UNII: Q1Y54IOL0P
• DSSTox Substance ID: DTXSID0036926
• Nikkaji Number: J193.769C
• Wikipedia: Perfluoro-1,3-dimethylcyclohexane
• Wikidata: Q17074532
• Mol file: 335-27-3.mol

Synonyms:perfluoro-1,3-dimethylcyclohexane

Chemical Property of Perfluoro-1,3-dimethylcyclohexane

Chemical Property:

• Appearance/Colour: colorless liquid.
• Vapor Pressure: 25.46mmHg at 25°C
• Melting Point: ?55 °C(lit.)
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 101-102 °C(lit.)
• Flash Point: 11.5
• PSA: 0.00000
• Density: 1.828
• LogP: 5.08240
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 0
• Exact Mass: 399.9744506
• Heavy Atom Count: 24
• Complexity: 479

Purity/Quality:

99.9% ^*data from raw suppliers

Hexadecafluoro(1,3-dimethylcyclohexane) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

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)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
• Uses: Perfluoro-1,3-dimethylcyclohexane has been used in:the preparation of amorphous fluorocarbon films by plasma polymerizationhydroformylation of linear terminal alkenes using rhodium based catalysts under fluorous biphasic conditions in the presence and absence of toluene

Technology Process of Perfluoro-1,3-dimethylcyclohexane

There total 10 articles about Perfluoro-1,3-dimethylcyclohexane 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:

4-chloro-α,α,α,α',α',α'-hexafluoro-m-xylene (327-76-4) → perfluoro-1,3-dimethylcyclohexane (335-27-3)

Guidance literature:

With silver plated copper; nitrogen; fluorine; at 110 ℃;

DOI:10.1021/ja01215a023

Reference yield:

m-xylene (108-38-3,104809-90-7) → perfluoro-1,3-dimethylcyclohexane (335-27-3)

Guidance literature:

With cobalt (III) fluoride; nitrogen; at 200 - 300 ℃;

DOI:10.1021/ie50447a618 DOI:10.1053/ajkd.2001.26839

Reference yield:

1,3-bis(trifluoromethyl)benzene (402-31-3) → perfluoro-1,3-dimethylcyclohexane (335-27-3)

Guidance literature:

With cobalt (III) fluoride; nitrogen; at 200 - 300 ℃;

DOI:10.1021/ie50447a618 DOI:10.1053/ajkd.2001.26839

upstream raw materials:

1,3-dimethylcyclohexane

4-chloro-α,α,α,α',α',α'-hexafluoro-m-xylene

1,3-bis(trifluoromethyl)benzene

m-xylene

Downstream raw materials:

perfluoro-1,3-dimethylcyclohex-1-en-3-yl anion

3H-perfluoro-1,3-dimethylcyclohexene

Refernces

• 1、 Bailey, John,Plevey, Raymond G.,Tatlow, John Colin. "FLUORINATIONS WITH COMPLEX METAL FLUORIDES. PART 9. FLUORINATIONS OF TOLUENE AND XYLENE DERIVATIVES BY MEANS OF CAESIUM TETRAFLUOROCOBALTATE(III)". . p. 1 - 14. Retrieved 2007/10/02.