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Sigma-Aldrich

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

98%

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Synonym(s):
α,α,α-Trifluoroacetylacetone, 1,1,1-Trifluoroacetylacetone
Linear Formula:
CH3COCH2COCF3
CAS Number:
Molecular Weight:
154.09
Beilstein:
1705177
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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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1 of 4

This Item
540323227153776998
form

liquid

form

-

form

-

form

liquid

refractive index

n20/D 1.388 (lit.)

refractive index

n20/D 1.316 (lit.)

refractive index

n20/D 1.483 (lit.)

refractive index

-

bp

105-107 °C (lit.)

bp

81-82 °C (lit.)

bp

49-52 °C/18 mmHg (lit.)

bp

-

density

1.27 g/mL at 25 °C (lit.)

density

1.259 g/mL at 25 °C (lit.)

density

1.1921 g/mL at 20 °C (lit.)

density

-

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

storage temp.

2-8°C

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

78.8 °F - closed cup

Flash Point(C)

26 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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
Analysis of aluminium in tablets by derivative ultraviolet spectrophotometry.
L Nobile et al.
Die Pharmazie, 46(2), 138-139 (1991-02-01)
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
João F C B Ramalho et al.
Advanced science (Weinheim, Baden-Wurttemberg, Germany), 6(19), 1900950-1900950 (2019-10-09)
Quick Response (QR) codes are a gateway to the Internet of things (IoT) due to the growing use of smartphones/mobile devices and its properties like fast and easy reading, capacity to store more information than that found in conventional codes
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

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