2,2,3,4,4,4-Hexafluorobutan-1-ol

Base Information

• Chemical Name: 2,2,3,4,4,4-Hexafluorobutan-1-ol
• CAS No.: 382-31-0
• Molecular Formula: C4H4F6O
• Molecular Weight: 182.066
• Hs Code.: 29055900
• European Community (EC) Number: 206-842-7
• DSSTox Substance ID: DTXSID00870523
• Nikkaji Number: J25.056B
• ChEMBL ID: CHEMBL4526528
• Mol file: 382-31-0.mol

Synonyms:382-31-0;2,2,3,4,4,4-Hexafluoro-1-butanol;2,2,3,4,4,4-Hexafluorobutan-1-ol;1H,1H,3H-Hexafluorobutanol;2,2,3,4,4,4-Hexafluorobutanol;1-Butanol, 2,2,3,4,4,4-hexafluoro-;2,2,3,4,4,4-Hexafluorobutanol-1;1H,1H,3H-Perfluorobutanol;2,2,3,4,4,4-hexafluoro-butan-1-ol;EINECS 206-842-7;CF3CFHCF2CH2OH;SCHEMBL18822;CHEMBL4526528;AMY6761;DTXSID00870523;MFCD00042309;AKOS006222982;CS-W017134;2,2,3,4,4,4-hexafluorobutyl alcohol;BS-16980;2,2,3,4,4,4-Hexafluoro-1-butyl alcohol;FT-0607836;H0649;2,2,3,4,4,4-Hexafluoro-1-butanol, 95%;D71063;W-106494

Chemical Property of 2,2,3,4,4,4-Hexafluorobutan-1-ol

Chemical Property:

• Appearance/Colour: Colorless transparent liquid, with alcohol-like odor
• Vapor Pressure: 9.94mmHg at 25°C
• Melting Point: 68 °C
• Refractive Index: n20/D 1.312(lit.)
• Boiling Point: 114.7 °C at 760 mmHg
• PKA: 13.10±0.10(Predicted)
• Flash Point: 51.7 °C
• PSA: 20.23000
• Density: 1.453 g/cm³
• LogP: 1.51440
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 182.01663372
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

99.9% ^*data from raw suppliers

2,2,3,4,4,4-Hexafluoro-1-butanol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi,F
• Statements: 20/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(C(F)(F)F)F)(F)F)O
• Uses: 2,2,3,4,4,4-Hexafluoro-1-butanol may be used in the preparation of fluorinated cationic guar gum (FCGG)., It may be employed as solvent to evaluate the dynamic nuclear polarization (DNP) parameters for the solutions of free radicals Galvinoxyl (GALV) and α,γ-bisdiphenylene-β-phenyl allyl complex with benzene (1:1) (BDPA).

Technology Process of 2,2,3,4,4,4-Hexafluorobutan-1-ol

There total 12 articles about 2,2,3,4,4,4-Hexafluorobutan-1-ol 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: 94.5%

C4H2F6O → 2,2,3,4,4,4-hexafluoro-1-butanol (382-31-0)

Guidance literature:

With 2 % platinum on carbon; hydrogen; at 40 ℃; for 4h; under 15001.5 Torr; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 81.0%

2,2,3,4,4,4-hexafluorobutyl methyl ether (58705-93-4) → 2,2,3,4,4,4-hexafluoro-1-butanol (382-31-0) + 1-bromo-2,2,3,4,4,4-hexafluorobutyl methyl ether (104724-98-3)

Guidance literature:

With bromine; In carbon disulfide; for 72h; Product distribution; Irradiation; further solvents: none; solvent dependence of product distribution investigated; regioselectivity of addition investigated;

DOI:10.1016/S0022-1139(00)80891-X

Reference yield: 67.0%

methanol (67-56-1) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 2,2,3,4,4,4-hexafluoro-1-butanol (382-31-0)

Guidance literature:

With diisopropyl peroxydicarbonate; at 40 - 100 ℃; for 21 - 36h; under 10498.4 - 45820.5 Torr;

upstream raw materials:

methanol

perfluoropropylene

dibenzoyl peroxide

Trimethyl borate

Downstream raw materials:

2,2,3,4,4,4-Hexafluor-buttersaeure

Pyridine hydrobromide

Refernces

• 1、 -. "Synthetic method of hexafluoro-1-butanol". Paragraph 0065; 0069; 0072; 0075; 0083; 0085; 0087-0099. . Retrieved 2018/05/16.
• 2、 -. "HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE". Page/Page column 20. . Retrieved 2008/06/13.