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235970

Sigma-Aldrich

1,1,1-Trifluoro-2,4-pentanedione

98%

Synonym(s):

α,α,α-Trifluoroacetylacetone, 1,1,1-Trifluoroacetylacetone

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About This Item

Linear Formula:
CH3COCH2COCF3
CAS Number:
367-57-7
Molecular Weight:
154.09
Beilstein/REAXYS Number:
1705177
EC Number:
206-698-5
MDL number:
MFCD00000427
UNSPSC Code:
12352100
PubChem Substance ID:
24854129
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.388 (lit.)

bp

105-107 °C (lit.)

density

1.27 g/mL at 25 °C (lit.)

functional group

fluoro

storage temp.

2-8°C

SMILES string

CC(=O)CC(=O)C(F)(F)F

InChI

1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3

InChI key

SHXHPUAKLCCLDV-UHFFFAOYSA-N

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General description

1,1,1-Trifluoro-2,4-pentanedione is known as trifluoro-acetylacetone (TFAA). Molecular structure of 1,1,1-trifluoro-pentane-2,4-dione has been investigated by Density Functional Theory (DFT) calculations.
May darken in storage

Application

1,1,1-Trifluoro-2,4-pentanedione has been used as reagent in the preparation of 2-alkylcarbonyl and 2-benzoyl-3-trifluoromethylquinoxaline 1,4-di-N-oxide derivatives.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ0653
MKCN5342
MKCN4718
MKCL7971
MKCK5684

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M Y Khuhawar et al.
Journal of chromatography. B, Biomedical sciences and applications, 723(1-2), 17-24 (1999-03-18)
Trifluoroacetylacetone (FAA) derivatives of 1,4-diaminobutane (putrescine) (Pu) and 1,5-diaminopentane (cadaverine) (CA) were prepared and characterized by elemental microanalysis, IR, and mass spectrometry. Diamine derivatives were eluted from capillary gas chromatographic (CGC) column BP1 (12 m x 0.22 mm I.D.) or
Belén Zarranz et al.
Bioorganic & medicinal chemistry, 12(13), 3711-3721 (2004-06-10)
As a continuation of our research in quinoxaline 1,4-di-N-oxide and with the aim of obtaining new anticancer agents, which can improve the current chemotherapeutic treatments, new series of 2-alkylcarbonyl and 2-benzoyl-3-trifluoromethylquinoxaline 1,4-di-N-oxide derivatives have been synthesized and evaluated for in
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L Nobile et al.
Die Pharmazie, 46(2), 138-139 (1991-02-01)
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