Hexafluoropropene

Base Information

• Chemical Name: Hexafluoropropene
• CAS No.: 116-15-4
• Molecular Formula: C3F6
• Molecular Weight: 150.023
• Hs Code.: 2903391000
• European Community (EC) Number: 204-127-4
• UN Number: 1858
• UNII: TRW23XOS20
• DSSTox Substance ID: DTXSID2026949
• Nikkaji Number: J35.205E
• Wikipedia: Hexafluoropropylene
• Wikidata: Q417982
• ChEMBL ID: CHEMBL4644489
• Mol file: 116-15-4.mol

Synonyms:hexafluoropropene

Chemical Property of Hexafluoropropene

Chemical Property:

• Appearance/Colour: colourless gas
• Vapor Pressure: 4770mmHg at 25°C
• Melting Point: -153 ºC
• Refractive Index: 1.253
• Boiling Point: -28 ºC
• Flash Point: °C
• PSA: 0.00000
• Density: 1.442 g/cm³
• LogP: 2.62630
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 149.99041897
• Heavy Atom Count: 9
• Complexity: 126
• Transport DOT Label: Non-Flammable Gas

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn:Harmful
• Statements: R20:; R37:
• Safety Statements: S41:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Unsaturated
• Canonical SMILES: C(=C(F)F)(C(F)(F)F)F

Technology Process of Hexafluoropropene

There total 141 articles about Hexafluoropropene 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: 68.0%

perfluoro-2-methylpentan-3-one (756-13-8) → perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + perfluoropropanoyl fluoride (422-61-7)

Guidance literature:

With cesium fluoride; at 250 ℃; for 2h; Product distribution;

DOI:10.1007/BF00956911

Reference yield: 38.0%

2-chloroundecafluoro-2-methyl-3-pentanone (83714-48-1) → perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + perfluoropropanoyl fluoride (422-61-7) + perfluoro-2-methylpentan-3-one (756-13-8)

Guidance literature:

With cesium fluoride; In diethylene glycol dimethyl ether; for 1h; Product distribution; Heating;

DOI:10.1007/BF00956911

Reference yield: 22.0%

perfluoroallylfluorosulphate (67641-28-5) + tetra-n-butylammonium cyanide (10442-39-4) → fluorosulfonyl fluoride (640723-20-2,2699-79-8,12769-73-2) + Carbonyl fluoride (353-50-4) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + 2,2,3,4,4-pentafluorobut-3-ene nitrile (7792-66-7) + silicon tetrafluoride (7783-61-1)

Guidance literature:

In dichloromethane; at -20 - 20 ℃; for 4h; Solvent; Inert atmosphere;

DOI:10.1016/j.jfluchem.2018.03.003

upstream raw materials:

heptafluorobutyric Acid

diethyl ether

heptafluoro-propyl lithium

1,2-dibromohexafluoropropane

Downstream raw materials:

2,2,3,4,4,4-hexafluoro-1-butanol

1,1,1,2,3,3-hexafluoro-3-methoxypropane

1,1,2,3,3,3-hexafluoropropyl ethyl ether

2,3,3,3-tetrafluoropropionic acid ethyl ester

Refernces

• 1、 Harrison, Daniel J.,Daniels, Alex L.,Guan, Jia,Gabidullin, Bulat M.,Hall, Michael B.,Baker, R. Tom. "Nickel Fluorocarbene Metathesis with Fluoroalkenes". . p. 5772 - 5776. Retrieved 2018.
• 2、 Bomse, D. S.,Berman, D. Wayne,Beauchamp, J. L.. "Energetics of the Rearrangement of Neutral and Ionized Perfluorocyclopropane to Perfluoropropylene. Use of Infrared Multiphoton Dissociation Spectra To Identify Structural Isomers of Molecular Ions". . p. 3967 - 3971. Retrieved 1981.
• 3、 Young,Reed. "". . p. 1682. Retrieved 1967.
• 4、 Banks, Ronald E.,Birchall, J. Michael,Haszeldine, Robert N.,Nicholson, William J.. "Perfluoroallyl Fluorosulphonate". . p. 133 - 134. Retrieved 1982.
• 5、 Brice,Pearlson,Simons. "-". . p. 968. Retrieved 1946.
• 6、 Lebedev,Berenblit,Troichanskaya,Gubanov. "Decomposition of pentafluoroallyl fluorosulfate oxide". . p. 449 - 455. Retrieved 2009.
• 7、 Cullen,W.R.,Waldman,M.C.. "". . p. 1885 - 1892. Retrieved 1970.
• 8、 Duncan, Juliana R.,Roach, Michael S.,Stiles, Brooke Sibila,Holmes, Bert E.. "Unimolecular rate constant and threshold energy for the HF elimination from chemically activated CF3CHFCF3". . p. 6996 - 7002. Retrieved 2010.
• 9、 Krespan, Carl G.,Dixon, David A.. "Transformations of F-Alkyl Iodides and Bromides Induced by Nickel(0) Carbonyl". . p. 36 - 43. Retrieved 1998.
• 10、 Krespan, Carl G.,England, David C.. "Perfluoroallyl Fluorosulfate, a Reactive New Perfluoroallylating Agent". . p. 5598 - 5599. Retrieved 1981.