1,1,1,4,4,4-Hexafluorobutane

Base Information

• Chemical Name: 1,1,1,4,4,4-Hexafluorobutane
• CAS No.: 407-59-0
• Molecular Formula: C4H4F6
• Molecular Weight: 166.066
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID8074942
• Nikkaji Number: J492.768K
• Wikidata: Q81985412
• Mol file: 407-59-0.mol

Synonyms:1,1,1,4,4,4-Hexafluorobutane;407-59-0;HFC 245mffm;HFC 356mffm;HFC 356;HFC 356mff;Butane, 1,1,1,4,4,4-hexafluoro-;R 356;C4H4F6;SCHEMBL166134;DTXSID8074942;AMY3642;C4-H4-F6;MFCD00236686;AKOS006228633;FT-0605931;R-356;A825273

Chemical Property of 1,1,1,4,4,4-Hexafluorobutane

Chemical Property:

• Vapor Pressure: 763mmHg at 25°C
• Melting Point: -53oC
• Refractive Index: 1.2732
• Boiling Point: 24-25°C
• PSA: 0.00000
• Density: 1,37 g/cm3
• LogP: 2.89120
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 166.02171910
• Heavy Atom Count: 10
• Complexity: 83.3

Purity/Quality:

98%Min ^*data from raw suppliers

1,1,1,4,4,4-Hexafluorobutane 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Safety Statements: 23

MSDS Files:

Useful:

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

Technology Process of 1,1,1,4,4,4-Hexafluorobutane

There total 10 articles about 1,1,1,4,4,4-Hexafluorobutane 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:

1,1,2-trifluoroethylene (359-11-5) → 2,2,2-trifluoroethanol (420-46-2) + 1,1,2-Trifluoroethan (430-66-0) + 1,1,1,4,4,4-hexafluorobutane (407-59-0) + 1,2,2,3,3,4-hexafluoro-butane (114810-02-5) + 1,1,1,3,4,4-Hexafluoro-butane + 1,1,1,3,3,4-Hexafluoro-butane

Guidance literature:

With hydrogen; mercury; under 100 - 750 Torr; Product distribution; Ambient temperature; Irradiation; different H₂ pressure;

DOI:10.1246/bcsj.60.3131

Reference yield:

1,1,2-trifluoroethylene (359-11-5) → 2,2,2-trifluoroethanol (420-46-2) + 1,1,1,4,4,4-hexafluorobutane (407-59-0) + 1,2,2,3,3,4-hexafluoro-butane (114810-02-5) + 1,1,1,3,4,4-Hexafluoro-butane + 1,1,1,3,3,4-Hexafluoro-butane + 1H,1H,3H,4H-hexafluorobutane

Guidance literature:

With hydrogen; mercury; under 100 - 750 Torr; Product distribution; Ambient temperature; Irradiation; different H₂ pressure;

DOI:10.1246/bcsj.60.3131

Reference yield:

1,1,1-trifluoro-2-chloroethane (75-88-7) → 2,2,2-trifluoroethanol (420-46-2) + 1,1,1,4,4,4-hexafluorobutane (407-59-0) + 1,1,1,4,4,4-hexafluoro-2,3-dichlorobutane (384-54-3)

Guidance literature:

mit UV-Licht_.Irradiation;

DOI:10.1039/jr9590000387

upstream raw materials:

1,1,1-trifluoro-2-chloroethane

propionic acid

trifluoroacetic acid

1,1,2-trifluoroethylene

Downstream raw materials:

hexafluoro-2-butyne

trifluoromethan

1,1,1-trifluoropropylene

Refernces

• 1、 Kohida, Tomoyuki,Kotaka, Masahiro,Sato, Shin,Ishida Toru,Yamamoto, Keiji,et al.. "1,2-Migration of Fluorine Atom in CH2FCF2 Radical Produced by the Addition of a Hydrogen Atom to Trifluoroethylene". . p. 3131 - 3136. Retrieved 1987.
• 2、 McDowell, Derek R.,Weston, Jennie,Holmes, Bert E.. "Substituent effects on the disproportionation-combination rate constant ratios for gas-phase halocarbon radicals. II. Reactions of · CF3 + CF3CH2CH2 · and CF3CH2CH2· + CF3CH2CH2·". . p. 61 - 68. Retrieved 2007/10/03.