cis-1,1,2,2,3,4-Hexafluorocyclobutane

Base Information

• Chemical Name: cis-1,1,2,2,3,4-Hexafluorocyclobutane
• CAS No.: 22819-47-2
• Molecular Formula: C4H2F6
• Molecular Weight: 164.05
• Hs Code.: 2903890090
• European Community (EC) Number: 671-661-6
• DSSTox Substance ID: DTXSID70380826
• Nikkaji Number: J2.217.890C
• Wikidata: Q76149005
• Mol file: 22819-47-2.mol

Synonyms:cis-1,1,2,2,3,4-Hexafluorocyclobutane;22819-47-2;(3S,4R)-1,1,2,2,3,4-hexafluorocyclobutane;(3R,4S)-1,1,2,2,3,4-hexafluorocyclobutane;SCHEMBL8506929;DTXSID70380826;LMSLTAIWOIYSGZ-XIXRPRMCSA-N;MFCD03094205;AKOS006240259;1,1,2,2,3alpha,4alpha-Hexafluorocyclobutane;Cyclobutane,1,1,2,2,3,4-hexafluoro-,(3R,4S)-rel-

Chemical Property of cis-1,1,2,2,3,4-Hexafluorocyclobutane

Chemical Property:

• Vapor Pressure: 721mmHg at 25°C
• Refractive Index: 1.2985
• Boiling Point: 26.5 °C at 760 mmHg
• PSA: 0.00000
• Density: 1.49 g/cm³
• LogP: 1.94680
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 164.00606904
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

cis-1,1,2,2,3,4-Hexafluorocyclobutane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C1(F)F)(F)F)F)F
• Isomeric SMILES: [C@H]1([C@@H](C(C1(F)F)(F)F)F)F

Technology Process of cis-1,1,2,2,3,4-Hexafluorocyclobutane

There total 19 articles about cis-1,1,2,2,3,4-Hexafluorocyclobutane 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: 41.0%

1,2-dichloroperfluorocyclobutane (356-18-3) → cis-1,1,2,2,3,4-hexafluorocyclobutane (22819-47-2) + trans-1,2-dihydrohexafluorocyclobutane (377-95-7,22819-47-2,23012-94-4)

Guidance literature:

With tri-n-butyl-tin hydride; at 25 - 30 ℃; for 3h;

DOI:10.1016/0022-1139(94)03153-Q

Reference yield: 41.0%

1,2-dichloroperfluorocyclobutane (356-18-3) → cis-1,1,2,2,3,4-hexafluorocyclobutane (22819-47-2) + trans-1,2-dihydrohexafluorocyclobutane (377-95-7,22819-47-2,23012-94-4)

Guidance literature:

With tri-n-butyl-tin hydride; at 25 - 30 ℃; for 3h;

DOI:10.1016/0022-1139(94)03153-Q

Reference yield:

hexafluorocyclobut-1-ene (697-11-0) → 1,1,2,2,3-Pentafluor-cyclobutan (2253-02-3) + cis-1,1,2,2,3,4-hexafluorocyclobutane (22819-47-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; at 60 ℃; under 88260.9 Torr;

upstream raw materials:

1,2-dichloroperfluorocyclobutane

hexafluorocyclobut-1-ene

cis-1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane

trans-1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane

Refernces

• 1、 Mizukado, Junji,Matsukawa, Yasuhisa,Quan, Heng-Dao,Tamura, Masanori,Sekiya, Akira. "Fluorination of fluoro-cyclobutene with high-valency metal fluoride". . p. 79 - 84. Retrieved 2007/10/03.