1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl Fluoride

Base Information

• Chemical Name: 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl Fluoride
• CAS No.: 6588-63-2
• Molecular Formula: C7F12 O
• Molecular Weight: 328.057
• Hs Code.: 2812900090
• DSSTox Substance ID: DTXSID80379781
• Nikkaji Number: J951.327B
• Wikidata: Q81985820
• Mol file: 6588-63-2.mol

Synonyms:6588-63-2;1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl Fluoride;PERFLUOROCYCLOHEXANECARBONYL FLUORIDE;Perfluorocyclohexyl carboxylic acid fluoride;1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexanecarbonyl fluoride;Perfluorocyclohexanecarbonyl fluoride (tech);Cyclohexanecarbonyl fluoride, 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-;Perfluorocyclohexanecarbonyl fluoride (tech);SCHEMBL5881281;DTXSID80379781;CCG-2082;MFCD00236697;perfluorocyclohexane carbonyl fluoride;AKOS003788922;FT-0684386;Undecafluorocyclohexanecarboxylic acid fluoride;PERFLUOROCYCLOHEXYLCARBOXYLICACIDFLUORIDE;A835262;Cyclohexanecarbonylfluoride,1,2,2,3,3,4,4,5,5,6,6-undecafluoro-;1,2,2,3,3,4,4,5,5,6,6-undecafluoro-1-cyclohexanecarbonyl fluoride

Chemical Property of 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl Fluoride

Chemical Property:

• Vapor Pressure: 13.5mmHg at 25°C
• Boiling Point: 77-78°C
• Flash Point: 39.9°C
• PSA: 17.07000
• Density: 1,6 g/cm3
• LogP: 3.38090
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 1
• Exact Mass: 327.9757526
• Heavy Atom Count: 20
• Complexity: 421

Purity/Quality:

98%Min ^*data from raw suppliers

PerfluorocyclohexylcarboxylicAcidFluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)F

Technology Process of 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl Fluoride

There total 12 articles about 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl Fluoride 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: 60.5%

4-fluorobenzoyl chloride (403-43-0) → tetradecafluorohexane (355-42-0) + 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: 50.5%

benzoyl chloride (98-88-4) → tetradecafluorohexane (355-42-0) + 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: 48.1%

benzoyl chloride (98-88-4) → 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl fluoride (6588-63-2)

Guidance literature:

With hydrogen fluoride; Product distribution; electrochemical fluorination with nickel anodes and iron cathodes;

DOI:10.1016/S0022-1139(00)84984-2

upstream raw materials:

perfluorobenzaldehyde

methyl 2-cyclopentylpropionate

benzoyl chloride

4-fluorosulphonyl-2,3,5,6-tetrafluorobenzoyl fluoride

Downstream raw materials:

1,2,2,3,3,4,4,5,5,6,6-Undecafluoro-cyclohexanecarboxylic acid 2,2,2-trifluoro-ethyl ester

Trimethyl-undecafluorocyclohexylmethoxy-silane

1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl chloride

1,2,2,3,3,4,4,5,5,6,6-Undecafluoro-cyclohexanecarboxylic acid undecafluorocyclohexylmethyl ester

Refernces

• 1、 Fielding, H. C.,Shirley, I. M.. "THE SYNTHESIS OF FUNCTIONALISED PERFLUOROCYCLOHEXANES BY THE LIQUID PHASE FLUORINATION OF FLUOROAROMATICS WITH ELEMENTAL FLUORINE". . p. 36. Retrieved 2007/10/02.