1,2-Dichlorohexafluorocyclobutane

Base Information

• Chemical Name: 1,2-Dichlorohexafluorocyclobutane
• CAS No.: 356-18-3
• Molecular Formula: C4Cl2 F6
• Molecular Weight: 232.94
• Hs Code.: 2903890090
• European Community (EC) Number: 206-599-7
• DSSTox Substance ID: DTXSID10870514
• Nikkaji Number: J48.588H
• ChEMBL ID: CHEMBL446843
• Mol file: 356-18-3.mol

Synonyms:1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane;1,2-dichlorohexafluorocyclobutane;1,2-dichloroperfluorocyclobutane;DCPFCB

Chemical Property of 1,2-Dichlorohexafluorocyclobutane

Chemical Property:

• Vapor Pressure: 213mmHg at 25°C
• Melting Point: -15 °C
• Refractive Index: 1.333
• Boiling Point: 59 °C
• Flash Point: °C
• PSA: 0.00000
• Density: 1.75g/cm³
• LogP: 3.07980
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 231.9281244
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

99%, ^*data from raw suppliers

1,2-Dichlorohexafluorocyclobutane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Cyclic Hydrocarbons
• Canonical SMILES: C1(C(C(C1(F)Cl)(F)Cl)(F)F)(F)F

Technology Process of 1,2-Dichlorohexafluorocyclobutane

There total 14 articles about 1,2-Dichlorohexafluorocyclobutane 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: 10.0%

Chlorotrifluoroethylene (79-38-9,9036-80-0) + Hexafluoroacetone (684-16-2) → 1,2-dichloroperfluorocyclobutane (356-18-3) + 4-Chloroperfluoro-2,2-dimethyloxetane + 3-Chloroperfluoro-2,2-dimethyloxetane

Guidance literature:

With aluminum chlorofluoride; at 100 ℃; for 18h; Yields of byproduct given;

DOI:10.1021/jo00116a030

Reference yield:

Chlorotrifluoroethylene (79-38-9,9036-80-0) → 3,4-dichlorohexafluoro-1-butene (357-21-1) + 3,3-dichloro-tetrafluoropropene (431-58-3) + 1,2-dichloroperfluorocyclobutane (356-18-3) + hexafluorocyclobut-1-ene (697-11-0)

Guidance literature:

at 600 ℃; Pyrolysis;

Reference yield:

Chlorotrifluoroethylene (79-38-9,9036-80-0) → 1,1,2-Trichloro-1,2,2-trifluoroethane (76-13-1) + 1,2-dichloro-1,2-difluoroethene (598-88-9) + 3-chloro-1,1,2,3,3-pentafluoro-propene (79-47-0) + octafluoro-1-butene (357-26-6) + Octafluorocyclobutane (115-25-3) + 1,2-dichloroperfluorocyclobutane (356-18-3)

Guidance literature:

at 450 - 710 ℃; for 0.000333333h; Product distribution; Mechanism; pyrolysis; variation of time and temp.; effect of contact time and temp.;

upstream raw materials:

Chlorotrifluoroethylene

3,4-dichlorohexafluorotetrahydrothiophene 1,1-dioxide

Hexafluoroacetone

3,4-dichlorohexafluoro-1-butene

Downstream raw materials:

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

trans-1,2-dihydrohexafluorocyclobutane

Chlorotrifluoroethylene

hexafluorocyclobut-1-ene

Refernces

• 1、 Petrov, Viacheslav A.,Davidson, Fred,Smart, Bruce E.. "A New Synthesis of Fluorinated Oxetanes". . p. 3419 - 3422. Retrieved 1995.
• 2、 Atkinson,Stedman. "-". . p. 512,518. Retrieved 1962.
• 3、 Ku?nirová, Kate?ina,?im?nek, Ond?ej,Rybá?ková, Markéta,Kví?ala, Jaroslav. "Structural assignment of fluorocyclobutenes by19F NMR spectroscopy – Comparison of calculated19F NMR shielding constants with experimental19F NMR shifts". . p. 3867 - 3874. Retrieved 2018/10/20.
• 4、 Ivanova, S. M.,Zemlyanskaya, N. V.,Boikov, Yu. A.,Volkov, G. V.,Barabanov, V. G.,et al.. "HIGH-ENERGY REACTIONS OF POLYFLUOROALKANES. IV. THERMAL TRANSFORMATIONS OF CHLOROTRIFLUOROETHYLENE". . p. 310 - 316. Retrieved 2007/10/02.