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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:
1705177
EC Number:
206-698-5
MDL number:
MFCD00000427
UNSPSC Code:
12352100
PubChem Substance ID:
24854129
NACRES:
NA.22

Quality Level

100

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.)

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

Signal Word

Warning

Hazard Statements

H226,H302 + H312 + H332

Hazard Classifications

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

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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Mansoureh Zahedi-Tabrizi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 65(2), 387-396 (2006-02-28)
Molecular structure of 1,1,1-trifluoro-pentane-2,4-dione, known as trifluoro-acetylacetone (TFAA), has been investigated by means of Density Functional Theory (DFT) calculations and the results were compared with those of acetylacetone (AA) and hexafluoro-acetylacetone (HFAA). The harmonic vibrational frequencies of both stable cis-enol
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
Camila M B Leite Silva et al.
Luminescence : the journal of biological and chemical luminescence, 34(8), 877-886 (2019-07-28)
Eu3+ -β-diketonate complexes are used, for example, in solid-state lighting (SSL) or light-converting molecular devices. However, their low emission quantum efficiency due to water molecules coordinated to Eu3+ and low photostability are still problems to be addressed. To overcome such
Sheida Esmaielzadeh et al.
Acta chimica Slovenica, 62(4), 805-817 (2015-12-19)
A number of new 1:1 complexes of SnMe(2)Cl(2) with unsymmetrical tetradentate Schiff base ligand with NNOS coordination sphere have been synthesized and fully characterized by a variety of physico-chemical techniques viz. elemental analysis, molar conductivity, (1)H and (119)Sn NMR, IR
Analysis of aluminium in tablets by derivative ultraviolet spectrophotometry.
L Nobile et al.
Die Pharmazie, 46(2), 138-139 (1991-02-01)
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