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Merck

235970

Sigma-Aldrich

1,1,1-三氟-2,4-戊二酮

98%

别名:

α,α,α-三氟乙酰丙酮, 1,1,1-三氟乙酰丙酮

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About This Item

线性分子式:
CH3COCH2COCF3
CAS号:
分子量:
154.09
Beilstein:
1705177
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

98%

形狀

liquid

折射率

n20/D 1.388 (lit.)

bp

105-107 °C (lit.)

密度

1.27 g/mL at 25 °C (lit.)

儲存溫度

2-8°C

SMILES 字串

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

InChI

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

InChI 密鑰

SHXHPUAKLCCLDV-UHFFFAOYSA-N

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一般說明

1,1,1-三氟-2,4-戊二酮被称为三氟乙酰丙酮(TFAA)。已经通过密度泛函理论(DFT)计算研究了1,1,1-三氟-戊烷-2,4-二酮的分子结构
可能会在存储期间变黑。

應用

1,1,1-三氟-2,4-戊二酮已被用作制备2-烷基羰基和2-苯甲酰基-3-三氟甲基喹喔啉1,4--N-氧化物衍生物的试剂

象形圖

FlameExclamation mark

訊號詞

Warning

危險分類

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

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

78.8 °F - closed cup

閃點(°C)

26 °C - closed cup

個人防護裝備

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


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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
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
Analysis of aluminium in tablets by derivative ultraviolet spectrophotometry.
L Nobile et al.
Die Pharmazie, 46(2), 138-139 (1991-02-01)
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
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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