1,1,2,3,3,4,4-Heptafluorobut-1-ene

Base Information

• Chemical Name: 1,1,2,3,3,4,4-Heptafluorobut-1-ene
• CAS No.: 680-54-6
• Molecular Formula: C4HF7
• Molecular Weight: 182.041
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID50379253
• Mol file: 680-54-6.mol

Synonyms:680-54-6;1,1,2,3,3,4,4-heptafluorobut-1-ene;1,1,2,3,3,4,4-HEPTAFLUORO-1-BUTENE;1H-Perfluorobut-1-ene;heptafluorobutene;4H-Perfluoro-1-butene;SCHEMBL251040;DTXSID50379253;NUPBXTZOBYEVIR-UHFFFAOYSA-N;MFCD00155824;AKOS006228186;FT-0605973;1-Butene, 1,1,2,3,3,4,4-heptafluoro-?;A835992

Chemical Property of 1,1,2,3,3,4,4-Heptafluorobut-1-ene

Chemical Property:

• Vapor Pressure: 845mmHg at 25°C
• Refractive Index: 1.269
• Boiling Point: 21°C
• PSA: 0.00000
• Density: 1.44g/cm³
• LogP: 2.96440
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 181.99664717
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%Min ^*data from raw suppliers

1,1,2,3,3,4,4-Heptafluorobut-1-ene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20
• Safety Statements: 23-38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=C(F)F)F)(F)F)(F)F

Technology Process of 1,1,2,3,3,4,4-Heptafluorobut-1-ene

There total 4 articles about 1,1,2,3,3,4,4-Heptafluorobut-1-ene 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:

1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane (335-48-8) → 1,1,2,2,3,3,4,4-octafluorobutane (377-36-6) + hexafluoro-1,3-butadiene (685-63-2) + 4-H-heptafluoro-1-butene (680-54-6) + hexafluorocyclobut-1-ene (697-11-0)

Guidance literature:

With ethylmagnesium bromide; magnesium; In toluene; for 4h; Product distribution / selectivity; Heating / reflux;

Reference yield:

1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-iodo-butane (678-13-7) → hexafluoro-1,3-butadiene (685-63-2) + 3,4-dichlorohexafluoro-1-butene (357-21-1) + 4-H-heptafluoro-1-butene (680-54-6) + 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-butane (14671-64-8) + 1,1,1,2,4,4,4-heptafluoro-2-butene (760-42-9)

Guidance literature:

With iodine; N,N-dimethyl-formamide; zinc; In 5,5-dimethyl-1,3-cyclohexadiene; at -78 - 140 ℃; for 4.5h; Reagent/catalyst; Time;

Reference yield:

1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (375-50-8) → 1,1,2,2,3,3,4,4-octafluorobutane (377-36-6) + hexafluoro-1,3-butadiene (685-63-2) + 1-iodo-1,1,2,2,3,3,4,4-octafluorobutame (754-73-4) + 4-H-heptafluoro-1-butene (680-54-6) + 1,1,1,2,4,4,4-heptafluoro-2-butene (760-42-9)

Guidance literature:

With N,N-dimethyl-formamide; zinc(II) iodide; zinc; In 5,5-dimethyl-1,3-cyclohexadiene; at -78 - 140 ℃; for 4.5h; Reagent/catalyst;

upstream raw materials:

1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane

1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-iodo-butane

1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane

Refernces

• 1、 -. "Method of preparing perfluoroalkadiene". Page/Page column 3. . Retrieved 2009/04/24.