1,1,1,4,4,4-Hexafluorobut-2-ene

Base Information

• Chemical Name: 1,1,1,4,4,4-Hexafluorobut-2-ene
• CAS No.: 407-60-3
• Molecular Formula: C4H2F6
• Molecular Weight: 164.05
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID90985276
• Wikidata: Q72481701
• Mol file: 407-60-3.mol

Synonyms:1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,4,4,4-hexafluorobutene;2-Butene, 1,1,1,4,4,4-hexafluoro-, (Z)-;2-Butene, 1,1,1,4,4,4-hexafluoro-, (2Z)-;DTXSID90985276;FT-0605930;FT-0700774;1,1,1,4,4,4-hexakis(fluoranyl)but-2-ene;A825274

Chemical Property of 1,1,1,4,4,4-Hexafluorobut-2-ene

Chemical Property:

• Vapor Pressure: 1340mmHg at 25°C
• Boiling Point: 8.7°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.356g/cm³
• LogP: 2.66720
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 164.00606904
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% min ^*data from raw suppliers

1,1,1,4,4,4-Hexafluoro-2-butene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 1,1,1,4,4,4-Hexafluorobut-2-ene

There total 6 articles about 1,1,1,4,4,4-Hexafluorobut-2-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:

1,1,1-trifluoro-2-chloroethane (75-88-7) → 2,2,2-trifluoroethanol (420-46-2) + Chlorotrifluoroethylene (79-38-9,9036-80-0) + 1,1,1,4,4,4-hexafluoro-2-butene (407-60-3) + 2,2,2-trifluoroethylidene (2441-28-3) + 1,1,2-trifluoroethylene (359-11-5)

Guidance literature:

Product distribution; Mechanism; Kinetics; Heating; gas-phase reaction, thermal and thermooxidative stability, various degree of adiabatic compression or various maximum temperature in adiabatic compression pulse, oxygen presence or absence;

Reference yield:

2-chloro-1,1,1-trifluoropropene (2730-62-3) → 2?chloro?1,1,1,4,4,4?hexafluoro?2?butene (400-44-2) + chlorotrifluoromethane (75-72-9) + 1,1,1-trifluoropropylene (677-21-4) + 1,1,1,4,4,4-hexafluoro-2-butene (407-60-3)

Guidance literature:

With Fe₂O₃/NiO on C; for 0.00833333h; Flow reactor;

Reference yield:

hexa(2,2,2-trifluoroethoxy)uranium → 2,2,2-trifluoroethanol (75-89-8) + 1,1,1,4,4,4-hexafluoro-2-butene (407-60-3) + uranium(VI) trioxide

Guidance literature:

In neat (no solvent); thermal decomposition, in a dry box atmosphere, in a evacuated ampule in a thermostated chamber heating (rate 1-2 deg/min) at temp. over 160 ° C; volatile products determinated by IR, non volatile product (UO3) gravimetric;

upstream raw materials:

1,1,1-Trichloro-2,2,2-trifluoroethane

1,1,2-Trifluoroethan

1,1,1,2-tetrafluoroethane

1,1,1-trifluoro-2-chloroethane

Downstream raw materials:

1,1,2,2-tetrachloroethylene

1,1-dichloro-2-trifluoromethyl-cyclopropane

Refernces

• 1、 Buravtsev, N. N.,Grigor'ev, A. S.,Kolbanovskii, Yu. A.,Ovsyannikov, A. A.. "THERMAL AND THERMOOXIDATIVE STABILITY OF OZONE-SAFE FREONS". . p. 1880 - 1890. Retrieved 2007/10/03.