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115460

Sigma-Aldrich

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
EC Number:
207-064-0
MDL number:
MFCD00000451
UNSPSC Code:
12352100
PubChem Substance ID:
24847218
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.37 (lit.)

bp

75 °C (lit.)

density

1.054 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(=O)CF

InChI

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

InChI key

MSWVMWGCNZQPIA-UHFFFAOYSA-N

General description

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

Application

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

accessory

Product No.
Description
Pricing

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Statements

H225,H300 + H310 + H330

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

44.6 °F - closed cup

Flash Point(C)

7 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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
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
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