2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene

Base Information

• Chemical Name: 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene
• CAS No.: 400-41-9
• Molecular Formula: C4HBrF6
• Molecular Weight: 242.946
• Hs Code.: 2903799090
• European Community (EC) Number: 671-624-4
• Nikkaji Number: J42.724A
• Wikidata: Q76305377
• Mol file: 400-41-9.mol

Synonyms:2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene;400-41-9;(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene;20591-32-6;2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene;(E)-2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene;C4HBrF6;2-BUTENE, 2-BROMO-1,1,1,4,4,4-HEXAFLUORO-, (E)-;XV4E8F5NUJ;UNII-XV4E8F5NUJ;2-Butene, 2-bromo-1,1,1,4,4,4-hexafluoro-;C4-H-Br-F6;SCHEMBL1997153;SCHEMBL1997154;MFCD03095421;AKOS015833907;AKOS025310030;LS-46926;A824865;(Z)-2-bromo-1,1,1,4,4,4-hexafluoro-2-butene;(Z)-2-bromo-1,1,1,4,4,4-hexafluoro-but-2-ene;(2Z)-2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene #

Chemical Property of 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene

Chemical Property:

• Vapor Pressure: 10mmHg at 25°C
• Refractive Index: 1.354
• Boiling Point: 134.3 °C at 760 mmHg
• Flash Point: 35 °C
• PSA: 0.00000
• Density: 1.813 g/cm³
• LogP: 3.38980
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 241.91658
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

99%, ^*data from raw suppliers

2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 23/24/25
• Safety Statements: 23-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C(=C(C(F)(F)F)Br)C(F)(F)F
• Isomeric SMILES: C(=C(/C(F)(F)F)\Br)\C(F)(F)F

Technology Process of 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene

There total 3 articles about 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene 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:

2,3-dibromo-1,1,1,4,4,4-hexafluoro-butane (384-50-9) → 2-bromo-3H-hexafluoro-but-2-ene (400-41-9)

Guidance literature:

With potassium hydroxide; at 40 - 70 ℃;

DOI:10.1039/jr9520002504

Reference yield:

hexafluoro-2-butyne (692-50-2) → 2-bromo-3H-hexafluoro-but-2-ene (400-41-9)

Guidance literature:

With hydrogen bromide; Irradiation_.UV-Licht;

DOI:10.1039/jr9520002504

Reference yield:

2,3-dibromo-1,1,1,4,4,4-hexafluoro-butane (384-50-9) → 2-bromo-3H-hexafluoro-but-2-ene (400-41-9) + hexafluoro-2-butyne (692-50-2)

Guidance literature:

DOI:10.1039/jr9520002504

upstream raw materials:

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

hexafluoro-2-butyne

Downstream raw materials:

2,2,3-tribromo-1,1,1,4,4,4-hexafluoro-butane