Hexafluoro-1,3-butadiene

Base Information

• Chemical Name: Hexafluoro-1,3-butadiene
• CAS No.: 685-63-2
• Molecular Formula: C4F6
• Molecular Weight: 162.034
• Hs Code.: 2903399090
• European Community (EC) Number: 211-681-0
• UNII: 3KQJ9VP55Z
• DSSTox Substance ID: DTXSID4060991
• Nikkaji Number: J28.272C
• Wikipedia: Hexafluorobutadiene
• Wikidata: Q2242152
• Mol file: 685-63-2.mol

Synonyms:Hexafluoro-1,3-butadiene;685-63-2;1,1,2,3,4,4-Hexafluorobuta-1,3-diene;hexafluorobutadiene;Perfluorobuta-1,3-diene;Hexafluorobut-1,3-diene;1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-;Perfluoro-1,3-butadiene;EINECS 211-681-0;3KQJ9VP55Z;MFCD00039273;1,1,2,3,4,4-Hexafluoro-1,3-butadiene;Hexafluorobutadiene-1,3;Hexafluorobuta-1,3-diene;perfluorobutadiene;Perfluorobutadiene-1,3;CF2=CFCF=CF2;UNII-3KQJ9VP55Z;1,3-Butadiene, hexafluoro-;DTXSID4060991;AMY6701;AKOS005762828;FC-2316;1,1,2,3,4,4-hexafluoro-buta-1,3-diene;FT-0626977;A836186;Q2242152

Chemical Property of Hexafluoro-1,3-butadiene

Chemical Property:

• Appearance/Colour: Colorless, odorless liquefied gas
• Vapor Pressure: 954mmHg at 25°C
• Melting Point: -132 ºC
• Refractive Index: 1.378
• Boiling Point: 18.6 ºC at 760 mmHg
• PSA: 0.00000
• Density: 1.425 g/cm³
• LogP: 3.14160
• Water Solubility.: 230.5mg/L at 20℃
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 161.99041897
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% min ^*data from raw suppliers

Hexafluoro-1,3-butadiene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-23-33

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Hexafluoro-1,3-butadiene

There total 54 articles about Hexafluoro-1,3-butadiene 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: 98.0%

perfluoro-1,2,3,4-tetrachlorobutane (375-45-1) → hexafluoro-1,3-butadiene (685-63-2)

Guidance literature:

With zinc; at 50 ℃; for 5h; Reagent/catalyst; Temperature; Concentration; Ionic liquid; Large scale;

Reference yield: 95.0%

1-bromo-1,2,2-trifluoroethene (598-73-2,55157-25-0) + 1,1-dibromo-1,2,2,2-tetrafluoroethane (27336-23-8) → hexafluoro-1,3-butadiene (685-63-2)

Guidance literature:

1,1-dibromo-1,2,2,2-tetrafluoroethane; With aluminum (III) chloride; zinc; In 1-methyl-pyrrolidin-2-one; at 70 - 90 ℃; for 3.2h; Inert atmosphere;

1-bromo-1,2,2-trifluoroethene; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1-methyl-pyrrolidin-2-one; at 40 ℃; for 21.6h; Solvent; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 86.0%

1,4-dibromo-2,3-dichloro-1,1,2,3,4,4-hexafluorobutane (375-42-8) → hexafluoro-1,3-butadiene (685-63-2)

Guidance literature:

With iodine; zinc; In isopropyl alcohol; at 70 - 80 ℃; for 4h; Temperature; Solvent; Reagent/catalyst;

upstream raw materials:

1,4-dibromo-2,3-dichloro-1,1,2,3,4,4-hexafluorobutane

3H-hexafluoro-4-iodo-but-1-ene

3,4-dichlorohexafluoro-1-butene

3,4-dichloro-hexafluoro-adipic acid

Downstream raw materials:

2-methoxy-2-butenedioic acid dimethyl ester

C₂₆H₁₄F₁₂O₂

octadecafluoro<1-vinyl-2-(1-vinyl-2-cyclobutyl)cyclobutane>

1,2,3,3,4,4,5,6,6-Nonafluoro-5-(1,2,2,3,3,4-hexafluoro-4-trifluorovinyl-cyclobutyl)-cyclohexene

Refernces

• 1、 -. "Preparation method of hexafluorobutadiene". Paragraph 0043-0066. . Retrieved 2021/07/09.
• 2、 -. "METHOD FOR PRODUCING HEXAFLUORO-1,3-BUTADIENE". Paragraph 0051-0062. . Retrieved 2021/02/12.