1,1,1,3,3,3-Hexafluoro-2-propanol

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoro-2-propanol
• CAS No.: 920-66-1
• Molecular Formula: C3H2F6O
• Molecular Weight: 168.039
• Hs Code.: 29055910
• European Community (EC) Number: 213-059-4
• NSC Number: 96336
• UN Number: 1760
• UNII: 3D632GYQ50
• DSSTox Substance ID: DTXSID1022134
• Nikkaji Number: J50.987F
• Wikipedia: Hexafluoro-2-propanol
• Wikidata: Q1123466
• ChEMBL ID: CHEMBL1231750
• Mol file: 920-66-1.mol

Synonyms:1,1,1,3,3,3-hexafluoro-2-propanol;1,1,1,3,3,3-hexafluoroisopropanol;hexafluoro-2-propanol;hexafluoroisopropanol;hexafluoropropanol

Chemical Property of 1,1,1,3,3,3-Hexafluoro-2-propanol

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 5.07E-07mmHg at 25°C
• Melting Point: -4 °C(lit.)
• Refractive Index: n20/D 1.275(lit.)
• Boiling Point: 59 °C at 760 mmHg
• PKA: pK1:9.42 (25°C)
• Flash Point: 4.4 °C
• PSA: 20.23000
• Density: 1.545 g/cm³
• LogP: 1.47190
• Storage Temp.: Store at RT.
• Water Solubility.: 1000 g/L (25 ºC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 168.00098366
• Heavy Atom Count: 10
• Complexity: 97.1
• Transport DOT Label: Corrosive

Purity/Quality:

98% ^*data from raw suppliers

1,1,1,3,3,3-Hexafluoro-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 20/22-34
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C(C(F)(F)F)(C(F)(F)F)O
• Description: Hexafluoroisopropanol (HFIP) is a viscous and colorless liquid with scary odorless. It is an ideal solvent for dissolving polyamides and esters, and it can be used to analyze nylon. Typically, a small amount of sodium trifluoroacetate can be added to the eluent to reduce the aggregation of the sample. HFIP has a certain viscosity, but its boiling point is very low, so we need to analyst under the conditions of 40 ° C to reduce the back pressure of the column. Hexafluoroisopropanol is also a highly polar solvent that results in a non-linearity of the calibration curve obtained from the mixed column bed column. Therefore, Agilent has developed a special column-PL HFIPgel column for this solvent, which has a porous structure that is not affected by solvents.
• Uses: Hexafluoroisopropanol is used to produce high-end chemicals, such as fluorinated surfactants, fluorinated emulsifier and fluorinated medicine, etc. HFIP is used as a solvent or cleaner in electronic industry. 1,1,1,3,3,3-Hexafluoro-2-propanol effects the native state of proteins, denaturing them as well as stabilizing the α-helical conformation of unfolded proteins and polypeptides. It is used as a polar solvent and exhibits strong hydrogen bonding properties.It dissolves substances that are hydrogen-bond acceptors, such as amides, ethers and a wide range of polymers, including those that are not soluble in the most common organic solvents. Usually used for preparing hexafluoroalcohol-functionalized methacrylate polymers for lithographic/nanopatterning materials.

Technology Process of 1,1,1,3,3,3-Hexafluoro-2-propanol

There total 41 articles about 1,1,1,3,3,3-Hexafluoro-2-propanol 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: 96.0%

Hexafluoroacetone (684-16-2) → 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1)

Guidance literature:

With isopropyl alcohol; at 240 ℃; for 6h;

DOI:10.1016/S0022-1139(03)00036-8

Reference yield: 93.0%

1,1,1,3,3,3-hexafluoroisopropyl chloromethyl ether (26103-07-1) → 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + sevoflurane (28523-86-6)

Guidance literature:

With hydrogenchloride; potassium fluoride; water; Aliquat HTA-1; at 100 ℃; for 3h; Product distribution / selectivity;

Reference yield: 76.0%

heptafluoropropan-2-ol (24427-67-6) → 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1)

Guidance literature:

With ruthenium on active carbon; hydrogen fluoride; hydrogen; at 0 - 25 ℃; for 1h; under 7500.75 Torr; chemoselective reaction;

DOI:10.1016/j.tet.2011.01.087

upstream raw materials:

piperidine

Hexafluoroacetone

2,2,2-trifluoroethanol

Dimethyl-phenyl-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-silane

Downstream raw materials:

hexafluoroisopropyl atrifluoroacetate

Z-Ala-O-hexafluorisopropyl

Z-L-Phe-OCH(CF₃)2

2-chloro-1,1,1,3,3,3-hexafluoropropane

Refernces

• 1、 Cullen,Styan. "". . p. 151,155. Retrieved 1965.
• 2、 -. "Method for synthesizing hexafluoroacetone and method for synthesizing hexafluoroisopropanol". Paragraph 0059; 0060; 0061; 0062; 0063; 0064; 0065-0106. . Retrieved 2018/03/24.