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Merck
CN

115460

Fluoroacetone

98%

Synonym(s):

α-Fluoroacetone, 1-Fluoro-2-propanone, Fluoromethyl methyl ketone, Monofluoroacetone

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About This Item

Linear Formula:
CH3COCH2F
CAS Number:
430-51-3
Molecular Weight:
76.07
NACRES:
NA.22
PubChem Substance ID:
24847218
UNSPSC Code:
12352100
EC Number:
207-064-0
MDL number:
MFCD00000451

Key Documents

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Product Name

Fluoroacetone, 98%

InChI key

MSWVMWGCNZQPIA-UHFFFAOYSA-N

InChI

1S/C3H5FO/c1-3(5)2-4/h2H2,1H3

SMILES string

CC(=O)CF

assay

98%

refractive index

n20/D 1.37 (lit.)

bp

75 °C (lit.)

density

1.054 g/mL at 25 °C (lit.)

functional group

fluoro
ketone

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

Fluoroacetone has been used as a catalyst to study the kinetics of the ketone-catalysed decomposition of peroxymonosulfuric acid (Caro′s acid).

General description

Aldolizations of fluoroacetone with aldehydes mediated by organocatalyst yield products with high enantioselectivities.

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

44.6 °F - closed cup

flash_point_c

7 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCV8836
MKCW5400
MKCW9588
MKCT0880
MKCV0343

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Lange A, et al.
J. Chem. Soc. Perkin Trans. II, 7, 1343-1350 (1999)
Xiao-Hua Chen et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 13(2), 689-701 (2006-10-03)
An organocatalyst prepared from (2R,3R)-diethyl 2-amino-3-hydroxysuccinate and L-proline exhibited high regio- and enantioselectivities for the direct aldol reactions of hydroxyacetone and fluoroacetone with aldehydes in aqueous media. It was found that water could be used to control the regioselectivity. The
Laura B Favero et al.
The journal of physical chemistry. A, 115(34), 9493-9497 (2011-03-17)
The rotational spectra of five isotopologues of the molecular adduct 1,1,1-trifluoroacetone-water have been assigned using pulsed-jet Fourier-transform microwave spectroscopy. All rotational transitions appear as doublets, due to the internal rotation of the methyl group. Analysis of the tunneling splittings allows
Y Shiratori et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 56A(9), 1693-1701 (2000-08-22)
The effects of water and heavy water on conformational equilibria of fluoroacetone have been investigated via Raman spectroscopy. Additional Raman bands have been observed in the C-F stretching and the C-C-C symmetric stretching regions for the aqueous solutions. Based on
Kimiyasu Isobe et al.
Applied microbiology and biotechnology, 102(3), 1307-1316 (2017-12-15)
The enzyme responsible for the enantioselective production of (S)-1,1,1-trifluoro-2-propanol ((S)-TFP) from 1,1,1-trifluoroacetone (TFA) has been identified in Ogataea polymorpha NBRC 0799. We purified two carbonyl reductases, OpCRD-A and OpCRD-B from this strain, and revealed their characteristics. Both enzymes were specific
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