Perfluoro-1,3,5-trimethylcyclohexane

Base Information

• Chemical Name: Perfluoro-1,3,5-trimethylcyclohexane
• CAS No.: 374-76-5
• Molecular Formula: C9F18
• Molecular Weight: 450.07
• Hs Code.: 2903890090
• European Community (EC) Number: 802-113-8
• DSSTox Substance ID: DTXSID80380039
• Nikkaji Number: J190.764F
• Mol file: 374-76-5.mol

Synonyms:Perfluoro-1,3,5-trimethylcyclohexane;374-76-5;1,1,2,3,3,4,5,5,6-nonafluoro-2,4,6-tris(trifluoromethyl)cyclohexane;Perfluoro(1,3,5-trimethylcyclohexane);MFCD00066614;SCHEMBL62640;DTXSID80380039;MGOFOLPXKULBGG-UHFFFAOYSA-N;AKOS005257988;perfluoro-1,3,5-trimethyl-cyclohexane;CS-0451797;FT-0676118;A823685;nonafluoro-1,3,5-tris-(trifluoromethyl)-cyclohexane;1,2,2,3,4,4,5,6,6-Nonafluoro-1,3,5-tris(trifluoromethyl)cyclohexane;1,1,2,3,3,4,5,5,6-nonakis(fluoranyl)-2,4,6-tris(trifluoromethyl)cyclohexane

Chemical Property of Perfluoro-1,3,5-trimethylcyclohexane

Chemical Property:

• Vapor Pressure: 102mmHg at 25°C
• Melting Point: -68°C
• Refractive Index: 1.2973
• Boiling Point: 125 °C
• Flash Point: 18.6°C
• PSA: 0.00000
• Density: 1.77g/cm³
• LogP: 5.71770
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 0
• Exact Mass: 449.9712569
• Heavy Atom Count: 27
• Complexity: 490

Purity/Quality:

99%, ^*data from raw suppliers

Perfluoro-1,3,5-trimethylcyclohexane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
• Uses: It finds its application in the characterization of non-aqueous phase liquid/tracer interaction in support of a vadose zone partitioning interwell tracer test.

Technology Process of Perfluoro-1,3,5-trimethylcyclohexane

There total 3 articles about Perfluoro-1,3,5-trimethylcyclohexane 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:

1,3,5-trimethyl-benzene (108-67-8) → perfluoro-1,3,5-trimethylcyclohexane (374-76-5) + perfluoro-1,3-dimethylcyclohexane (335-27-3)

Guidance literature:

With cobalt (III) fluoride; at 200 - 400 ℃;

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

Reference yield:

1,3,5-trimethyl-benzene (108-67-8) → perfluoro-1,3,5-trimethylcyclohexane (374-76-5) + perfluoro-1,3-dimethylcyclohexane (335-27-3)

Guidance literature:

at 200 - 400 ℃; Leiten ueber CoF₃;

DOI:10.1053/ajkd.2001.26839

Reference yield:

1,3,5-trimethyl-benzene (108-67-8) → perfluoro-1,3,5-trimethylcyclohexane (374-76-5)

Guidance literature:

With cobalt (III) fluoride; at 350 ℃;

DOI:10.1039/jr9500003617

upstream raw materials:

1,3,5-trimethyl-benzene