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139238

Sigma-Aldrich

Hexafluoroacetone trihydrate

98%

Synonym(s):

Hexafluoro-2-propanone trihydrate, Perfluoroacetone trihydrate

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About This Item

Linear Formula:
(CF3)2CO · 3H2O
CAS Number:
Molecular Weight:
220.07
Beilstein/REAXYS Number:
607236
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

87.5 psi ( 21 °C)

assay

98%

form

liquid

refractive index

n20/D 1.319 (lit.)

mp

18-21 °C (lit.)

density

1.579 g/mL at 25 °C (lit.)

SMILES string

[H]O[H].[H]O[H].[H]O[H].FC(F)(F)C(=O)C(F)(F)F

InChI

1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2

InChI key

SNZAEUWCEHDROX-UHFFFAOYSA-N

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General description

Hexafluoroacetone trihydrate forms crystalline 1:1 complexes with imidazole 3-oxides.

Application

Hexafluoroacetone trihydrate was used to study the kinetics and thermodynamics of linkage isomerization of (acetone)pentaammineruthenium (III) and-ruthenium (II) complexes. It was used in a study to reconstitute the α-and β-polypeptides of both Rhodobacter sphaeroides and Rhodospirillum rubrum with bacteriochlorophyll a.

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Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Dam. 1 - Repr. 2 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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First synthesis of the N (1)-bulky substituted imidazole 3-oxides and their complexation with hexafluoroacetone hydrate.
Mloston G and Jasinski M.
ARKIVOC (Gainesville, FL, United States), 6, 162-175 (2011)
Mingying Yang et al.
Journal of biomedical materials research. Part A, 84(2), 353-363 (2007-07-10)
Two silklike proteins, [TGRGDSPAGG(GAGAGS)3AS]5 (FS5) and [TGRGDSPA-(GVPGV)2GG(GAGAGS)3AS]8 (FES8) were designed to demonstrate the superior performance as biomaterials of silklike proteins. The former protein consists of the crystalline domain sequence, (GAGAGS)n from Bombyx mori silk fibroin and cell-adhesive sequence TGRGDSPA coming
Linkage isomerization reactions of (acetone) pentaammineruthenium (III) and-ruthenium (II) complexes.
Powell DW and Lay PA.
Inorganic Chemistry, 31(17), 3542-3550 (1992)
Jan Spengler et al.
The Journal of organic chemistry, 73(6), 2311-2314 (2008-02-22)
beta-Hydroxy acids were reacted with hexafluoroacetone and carbodiimides to give carboxy-activated six-membered lactones in good yields. On reaction with amines, the corresponding amides were obtained. We demonstrate the following applications of this protecting/activating strategy: preparation of carboxamides in solution and
T Rühl et al.
Amino acids, 27(3-4), 285-290 (2004-11-19)
Hexafluoroacetone was applied as a bidentate protecting and activating agent for the syntheses of RGD-peptide mimetics starting from iminodiacetic acid in solution and on solid phase.

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