Fluorocyclohexane

Base Information

• Chemical Name: Fluorocyclohexane
• CAS No.: 372-46-3
• Molecular Formula: C6H11F
• Molecular Weight: 102.152
• Hs Code.: 2903890090
• European Community (EC) Number: 206-754-9
• DSSTox Substance ID: DTXSID5059907
• Nikkaji Number: J100.755F
• Wikidata: Q81988998
• Mol file: 372-46-3.mol

Synonyms:Fluorocyclohexane;372-46-3;Cyclohexane, fluoro-;Cyclohexyl fluoride;EINECS 206-754-9;MFCD00021285;C6H11F;cyclohexylfluoride;fluoro-cyclohexane;SCHEMBL61403;DTXSID5059907;AKOS006227573;GS-3495;F0587;FT-0626475;H10408

Chemical Property of Fluorocyclohexane

Chemical Property:

• Melting Point: 13 °C
• Refractive Index: 1.4146
• Boiling Point: 100.2 °C at 760 mmHg
• Flash Point: 8.9 °C
• PSA: 0.00000
• Density: 0.89 g/cm³
• LogP: 2.28860
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 102.084478513
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Fluorocyclohexane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 11
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)F
• Uses: Fluorocyclohexane is used as an intermediate in chemical research and pharmaceuticals.

Technology Process of Fluorocyclohexane

There total 47 articles about Fluorocyclohexane 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: 99.0%

cyclohexene (110-83-8) → fluorocyclohexane (372-46-3)

Guidance literature:

With HF-melamine; hydrogen fluoride; In pentane; at 0 ℃; for 0.166667h; var.: reagent (HF, HF-pyridine), solvent (THF, CCl₄, CHCl₃, CH₂Cl₂);

DOI:10.1246/cl.1984.1241

Reference yield: 96.0%

cyclohexylmagnesiumchloride (931-51-1) → fluorocyclohexane (372-46-3)

Guidance literature:

With N-fluoroquinuclidinium fluoride; In diethyl ether;

Reference yield: 95.0%

{(η5-C5H5)Re(NO)(PPh3)(IC6H11)}(1+)BF4(1-) → (η5-C5H5)Re(NO)(PPh3)(I) + P(C6H5)3C6H11(1+)*BF4(1-) = P(C6H5)3C6H11BF4 (138968-07-7) + fluorocyclohexane (372-46-3) + cyclohexene (110-83-8)

Guidance literature:

With triphenylphosphine; In dichloromethane-d2; N2, frozen in liquid N2, CD2CL2 and solid PPh3 added, slowly warmed to 0°C; not isolated, NMR, GLC;

DOI:10.1016/S0277-5387(00)86054-4

upstream raw materials:

pyridine

fluorocarbonic acid cyclohexyl ester

1-bromocyclohexane

hexane

Downstream raw materials:

cyclohexene

chlorofluorocyclohexane

trans-1-chloro-4-fluorocyclohexane

cis-1-Chlor-4-fluorcyclohexan

Refernces

• 1、 Bucsi, Imre,Toeroek, Bela,Marco, Alfonso Iza,Rasul, Golam,Prakash, G. K. Surya,Olah, George A.. "Stable dialkyl ether/poly(hydrogen fluoride) complexes: Dimethyl ether/poly(hydrogen fluoride), a new, convenient, and effective fluorinating agent". . p. 7728 - 7736. Retrieved 2002.
• 2、 Bordet, Alexis,Emondts, Meike,Kacem, Souha,Leitner, Walter. "Selective hydrogenation of fluorinated arenes using rhodium nanoparticles on molecularly modified silica". . p. 8120 - 8126. Retrieved 2020/12/28.
• 3、 West, Julian G.,Bedell, T. Aaron,Sorensen, Erik J.. "The Uranyl Cation as a Visible-Light Photocatalyst for C(sp3)?H Fluorination". supporting information. p. 8923 - 8927. Retrieved 2016/07/26.