677-71-4

Basic information

• Product Name: 1,1,1,3,3,3-hexafluoropropane-2,2-diol
• Synonyms: 1,1,1,3,3,3-hexafluoropropane-2,2-diol;1,1,1,3,3,3-Hexafluoro-2,2-propanediol
• CAS NO: 677-71-4
• Molecular Formula: C₃H₂F₆O₂
• Molecular Weight: 184.0371992
• EINECS: 211-644-9
• Mol File: 677-71-4.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 184.3±35.0 °C(Predicted)
• Appearance: /
• Density: 1.5575 (estimate)
• PKA: pK1:8.801 (25°C)
• CAS DataBase Reference: 1,1,1,3,3,3-hexafluoropropane-2,2-diol(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1,3,3,3-hexafluoropropane-2,2-diol(677-71-4)
• EPA Substance Registry System: 1,1,1,3,3,3-hexafluoropropane-2,2-diol(677-71-4)

Safety Data

• Hazardous Substances Data: 677-71-4(Hazardous Substances Data)

Usage

General Description

A colorless liquid with a acetone-like odor. Toxic by inhalation. Nonflammable. Emits toxic fumes when heated to high temperatures. Heavier than air. Used as an intermediate in organic synthesis.

Air & Water Reactions

Hygroscopic. Reacts with water to release a large amount of heat.

Reactivity Profile

1,1,1,3,3,3-hexafluoropropane-2,2-diol is incompatible with water, and acids. Reacts with moisture to form a highly acidic sesquihydrate .

Health Hazard

Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways.

InChI:InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H

Upstream product

• 7732-18-5 water 
• 32308-81-9 mercury bis(perfluoro-tert-butanethiolate) 
• 920-66-1 1,1,1,3',3',3'-hexafluoro-propanol 
• 156241-41-7 hexafluoroisopropyl trifluoromethanesulphonate 
• 662-23-7 N,N-Difluor-heptafluorisopropylamin 
• 118217-64-4 potassium 3,3,3-trifluoro-2-trifluoromethyl-2-hydroxypropionate 
• 64-18-6 formic acid 
• 684-16-2 Hexafluoroacetone 
• 175167-66-5 2-(Di-adamantan-1-yl-phosphinoyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol 
• 78952-21-3 perfluoro-2,6,6-trimethyl-2-heptene 
• 52225-57-7 2,2,2-trifluoro-N-{2,2,2-trifluoro-1-(trifluoromethyl) ethylidene}acetamide 
• 103-69-5 N-ethyl-N-phenylamine 
• 132182-90-2 2,3-bis(fluorosulfato)perfluoro-(2-methylpentane) 
• 353-85-5 trifluoroacetonitrile 

Downstream Products

• 684-16-2 Hexafluoroacetone 
• 65294-20-4 4,4'-(hexafluoroisopropylidene)-bis-(o-xylene) 
• 134538-78-6 N-<4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)phenyl>-4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)anthranilic acid 
• 96943-31-6 N-<4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)phenyl>anthranilic acid 

Relevant articles and documents

Oxidation of fluoroalkyl alcohols using sodium hypochlorite pentahydrate [1]

Fluoroalkyl alcohols are effectivity oxidized to the corresponding fluoroalkyl carbonyl compounds by reaction with sodium hypochlorite pentahydrate in acetonitrile in the presence of acid and nitroxyl radical catalysts. Although the reaction proceeded slower under a nitroxyl radical catalyst- free condition, the desired carbonyl compounds were obtained in high yields. For the reaction with fluoroalkyl allylic alcohols, the corresponding α,β-epoxyketone hydrates were obtained in high yields.

Process for Preparation of Hexafluoroacetone Monohydrate

Disclosed is a method for producing hexafluoroacetone monohydrate by (1) allowing, in an organic solvent, hexafluoroacetone to be absorbed into water or a hexafluoroacetone hydrate (water addition method) or by (2) an easy method in which a hexafluoroacetone hydrate is mixed with an organic solvent and then distillation is conducted, thereby removing a mixture of water and the organic solvent as a low-boiling-point composition and obtaining a mixture of hexafluoroacetone monohydrate and the organic solvent as a high-boiling-point composition (dehydration method).

METHOD FOR PRODUCING HYDRATE OF FLUOROALKYL KETONE

The present invention relates to a method for producing a compound represented by formula (2): ????????[CF3(CF2)n] [CF3(CF2)m]C(OH)2?????(2) wherein n and m independently represent 0 to 10, the method comprising reacting with a halogen or a halogen-containing oxidizing agent a salt of a compound represented by formula (1): ????????[CF3(CF2)n] [CF3(CF2)m]C(OH)COOH?????(1) wherein n and m independently represent 0 to 10.