HEXAFLUORO-2,3-BIS(TRIFLUOROMETHYL)BUTANE-2,3-DIOL

Base Information

• Chemical Name: HEXAFLUORO-2,3-BIS(TRIFLUOROMETHYL)BUTANE-2,3-DIOL
• CAS No.: 918-21-8
• Molecular Formula: C6H2F12O2
• Molecular Weight: 334.062
• Hs Code.: 29055900
• European Community (EC) Number: 624-621-7
• DSSTox Substance ID: DTXSID60238701
• Nikkaji Number: J14.067H
• Wikidata: Q72481695
• Mol file: 918-21-8.mol

Synonyms:Dodecafluoropinacol;Perfluoropinacol;Perfluoropinacone;1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol;2,3-Butanediol, 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-;2,3-Bis(trifluoromethyl)-1,1,1,4,4,4-hexafluorobutane-2,3-diol;Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol;

Chemical Property of HEXAFLUORO-2,3-BIS(TRIFLUOROMETHYL)BUTANE-2,3-DIOL

Chemical Property:

• Vapor Pressure: 2.49E-07mmHg at 25°C
• Melting Point: 18 °C
• Refractive Index: 1.3102
• Boiling Point: 379.8 °C at 760 mmHg
• PKA: 7.56±0.29(Predicted)
• Flash Point: 183.5 °C
• PSA: 40.46000
• Density: 1.774 g/cm³
• LogP: 2.69780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 1
• Exact Mass: 333.9863172
• Heavy Atom Count: 20
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn,T+
• Hazard Codes: Xi,Xn,T+
• Statements: 20/21/22-36/37/38-22-27-20/22
• Safety Statements: 26-36/37/39-45-36/37-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of HEXAFLUORO-2,3-BIS(TRIFLUOROMETHYL)BUTANE-2,3-DIOL

There total 11 articles about HEXAFLUORO-2,3-BIS(TRIFLUOROMETHYL)BUTANE-2,3-DIOL 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: 80.0%

Hexafluoroacetone (684-16-2) → perfluoropinacol (918-21-8)

Guidance literature:

With magnesium; mercury dichloride; In N,N-dimethyl-formamide; for 1h;

DOI:10.1007/BF00955452

Reference yield: 68.0%

1,1,1,4,4,4-hexafluoro-2,3-bis-trifluoromethyl-but-2-ene (360-57-6) → perfluoropinacol (918-21-8)

Guidance literature:

With potassium permanganate; In water; acetone; at -30 - -20 ℃; for 0.5h;

DOI:10.1007/BF00961993

Reference yield: 50.0%

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) → perfluoropinacol (918-21-8)

Guidance literature:

With mercury; at 100 - 120 ℃; Irradiation;

DOI:10.1016/S0022-1139(97)00038-9

upstream raw materials:

1,1,1-Triethoxy-3,3,4,4-tetrakis-trifluormethyl-<1,2,5>-phosphadioxolan

Hexafluoroacetone

1,1,1,4,4,4-hexafluoro-2,3-bis-trifluoromethyl-but-2-ene

pp-diphenyl-p-tetrakis (perfluoromethyl)ethylene glycol phosphinate

Downstream raw materials:

C₁₈H₉F₁₂O₄PS

2,2,3,3-Tetramethyl-5-phenoxy-7,7,8,8-tetrakis-trifluoromethyl-1,4,6,9-tetraoxa-5λ⁵-phospha-spiro[4.4]nonane

2,2,2-triphenyl-4,4,5,5-tetrakis-trifluoromethyl-2λ⁵-[1,3,2]dioxaphospholane

1,2-bis[4,4,5,5-tetrakis(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]benzene

Refernces

• 1、 Cripps,Willis. "". . p. 809,810, 815. Retrieved 1975.
• 2、 -. "Preparation of fluorinated functional compounds". . . Retrieved 2008/06/13.
• 3、 Knunyants, I. L.,Postovoi, S. A.,Delyagina, N. I.,Zeifman, Yu. V.. "PARTIAL OXIDATION OF INTERNAL FLUOROOLEFINS BY POTASSIUM PERMANGANATE". . p. 2090 - 2095. Retrieved 2007/10/02.