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Merck
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重要文件

235970

Sigma-Aldrich

1,1,1-三氟-2,4-戊二酮

98%

同義詞:

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

線性公式:
CH3COCH2COCF3
CAS號碼:
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

品質等級

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.)

官能基

fluoro
ketone

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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