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:
Molecular Weight:
76.07
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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Lange A, et al.
J. Chem. Soc. Perkin Trans. II, 7, 1343-1350 (1999)
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
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
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
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