Chloroperfluorocyclohexane

Base Information

• Chemical Name: Chloroperfluorocyclohexane
• CAS No.: 336-15-2
• Molecular Formula: C6ClF11
• Molecular Weight: 316.501
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID50371494
• Wikidata: Q82158832
• Mol file: 336-15-2.mol

Synonyms:Chloroperfluorocyclohexane;336-15-2;1-chloro-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane;SCHEMBL11181605;DTXSID50371494;KGZKBHYAEBRMAR-UHFFFAOYSA-N;MFCD00798132;AKOS007930104;CS-0451307;FT-0676273

Chemical Property of Chloroperfluorocyclohexane

Chemical Property:

• Vapor Pressure: 67.4mmHg at 25°C
• Melting Point: 30-31oC
• Boiling Point: 89oC at 760 mmHg
• Flash Point: 19.9oC
• PSA: 0.00000
• Density: 1.75g/cm3
• LogP: 4.08110
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 315.9512875
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

98%Min ^*data from raw suppliers

Chloroperfluorocyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)Cl)(F)F)(F)F)(F)F

Technology Process of Chloroperfluorocyclohexane

There total 13 articles about Chloroperfluorocyclohexane 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: 74.0%

1-chloro-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene (15145-21-8) → chloro-undecafluoro-cyclohexane (336-15-2)

Guidance literature:

With vanadium pentafluoride; at 60 ℃; for 2h; closed tube;

DOI:10.1016/S0022-1139(00)85033-2

Reference yield: 57.0%

2,3,3,4,5,6,6-heptafluoro-1-chloro-cyclohexa-1,4-diene (830-23-9) → chloro-undecafluoro-cyclohexane (336-15-2) + 4-chlorononafluorocyclohexene (120345-76-8)

Guidance literature:

With vanadium pentafluoride; In trichlorofluoromethane; at 25 ℃; for 0.333333h; closed tube;

DOI:10.1016/S0022-1139(00)85033-2

Reference yield:

chlorobenzene (108-90-7) → perfluorocyclohexane (355-68-0) + chloro-undecafluoro-cyclohexane (336-15-2)

Guidance literature:

at 350 ℃; Leiten ueber Kobalt(III)-fluorid;

DOI:10.1039/jr9520001251

upstream raw materials:

docosafluoro-bicyclohexyl

chlorobenzene

1,2-dichloro-benzene

2,3,3,4,5,6,6-heptafluoro-1-chloro-cyclohexa-1,4-diene

Downstream raw materials:

undecafluorocyclohexane

decafluorocyclohex-1-ene

1,2-dichlorodecafluorocyclohexane

1,2-dibromo-decafluoro-cyclohexane

Refernces

• 1、 Avramenko, A. A.,Bardin, V. V.,Furin, G. G.,Karelin, A. I.,Krasil'nikov, V. A.,Tushin, P. P.. "ACTION OF VANADIUM AND ANTIMONY PENTAFLUORIDES ON POLYFLUORINATED DERIVATIVES OF CYCLOHEXADIENE". . p. 1298 - 1303. Retrieved 2007/10/02.