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235970

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

Name: 1,1,1-Trifluoro-2,4-pentanedione
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24854129

EC Number:

206-698-5

Beilstein/REAXYS Number:

1705177

MDL number:

MFCD00000427

Assay:

98%

Form:

liquid

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Properties

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.)

functional group

fluoro, ketone

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

Description

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

GHS02,GHS07

signalword

Warning

hcodes

H226,H302 + H312 + H332

pcodes

P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

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

Regulatory Information

危险化学品

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Structure and vibrational assignment of the enol form of 1,1,1-trifluoro-2,4-pentanedione.

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

Capillary gas chromatographic determination of putrescine and cadaverine in serum of cancer patients using trifluoroacetylacetone as derivatizing reagent.

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

Eu3+ -tetrakis β-diketonate complexes for solid-state lighting application.

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

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Global Trade Item Number

SKU	GTIN
235970-25G	04061838785381
235970-10G	04061838785374