Perfluoro(methylcyclohexane)

Base Information

• Chemical Name: Perfluoro(methylcyclohexane)
• CAS No.: 355-02-2
• Molecular Formula: C7F14
• Molecular Weight: 350.055
• Hs Code.: 29038900
• European Community (EC) Number: 206-573-5
• NSC Number: 4779
• UNII: VJ9772YW63
• DSSTox Substance ID: DTXSID5059874
• Nikkaji Number: J48.551I
• Wikipedia: Perfluoromethylcyclohexane
• Wikidata: Q17074544
• Mol file: 355-02-2.mol

Synonyms:perfluoro(methylcyclohexane);perfluoromethylcyclohexane

Chemical Property of Perfluoro(methylcyclohexane)

Chemical Property:

• Appearance/Colour: Melting point: -37 C
• Vapor Pressure: 112mmHg at 25°C
• Melting Point: -37 °C
• Refractive Index: n17/D 1.285(lit.)
• Boiling Point: 76 °C(lit.)
• Flash Point: 4.2°C
• PSA: 0.00000
• Density: 1.74g/cm³
• LogP: 4.44710
• Storage Temp.: Refrigerator
• Solubility.: Miscible with acetone and benzene.
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 349.9776443
• Heavy Atom Count: 21
• Complexity: 411

Purity/Quality:

99.9% ^*data from raw suppliers

Perfluoro(methylcyclohexane) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

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(F)(F)F)F
• Uses: Perfluoro(methylcyclohexane) is used as a solvent to determine fluorophilicity of hydrocarbon and fluorocarbon-functionalized nicotinic acid esters. It combines with chloroform and acts as an ingredient for "fluorous" biphase reactions. Furthermore, it finds application as a heat transfer agent, a dielectric fluid and a perfluorocarbon tracer. It acts as a good solvent for gases.

Technology Process of Perfluoro(methylcyclohexane)

There total 57 articles about Perfluoro(methylcyclohexane) 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: 45.5%

4-methyl-benzoyl chloride (874-60-2) → tetradecafluorohexane (355-42-0) + perfluoro(methylcyclohexane) (355-02-2) + perfluoro-1,4-dimethylcyclohexane (374-77-6) + C8F14O (37678-17-4) + C8F16O (1265131-67-6) + 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl fluoride (6588-63-2) + 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride (375-84-8)

Guidance literature:

With dimethylsulfide; hydrogen fluoride; nickel; Electrolysis;

DOI:10.1016/j.jfluchem.2009.04.010

Reference yield: 16.0%

1,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxymethylcyclohexane → perfluoro(methylcyclohexane) (355-02-2) + perfluoromethoxy methylcyclohexane

Guidance literature:

With calcium fluoride; cobalt (III) fluoride; at 440 ℃; in nickel tube;

DOI:10.1016/S0022-1139(00)82331-3

Reference yield:

methyl cyclohexylacetate (14352-61-5) → perfluoro(7-oxabicyclo<4.3.0>nonane) (55751-36-5) + perfluoro(2-methylcyclopentane) (1805-22-7) + perfluoro(methylcyclohexane) (355-02-2) + perfluoro(cyclohexylacetyl fluoride) (74317-65-0)

Guidance literature:

With hydrogen fluoride; at 5 - 6 ℃; for 7h; Further byproducts given. Yields of byproduct given; electrochemical fluorination; anodic current density 3.5 A/dm², 5.2 - 8.1 V;

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

upstream raw materials:

para-chlorotoluene

α,α,α-trifluorotoluene

4-chlorobenzotrifluoride

toluene

Downstream raw materials:

1-trifluoro-methylnonafluorocyclohex-1-ene

2-aminohexafluoro-6-iminocyclohex-1-enecarbonitrile

cyclopentadienyl iron(II) dicarbonyl dimer

perfluorotoluene

Refernces

• 1、 Shreider,Rozhkov. "". . . Retrieved 1979.
• 2、 Ilayaraja,Velayutham,Noel. "Prevention of anode fouling during the electrochemical perfluorination of aromatic carboxylic acid chlorides". experimental part. p. 656 - 661. Retrieved 2009/12/22.
• 3、 Grigor'eva,Shainyan,Kaurova,Gracheva,Lesnevskaya,Barabanov. "Electrochemical fluorination of unsaturated sulfides and sulfones". . p. 1095 - 1100. Retrieved 2007/10/03.