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Merck
CN

235970

Sigma-Aldrich

1,1,1-三氟-2,4-戊二酮

98%

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别名:
α,α,α-三氟乙酰丙酮, 1,1,1-三氟乙酰丙酮
线性分子式:
CH3COCH2COCF3
CAS号:
分子量:
154.09
Beilstein:
1705177
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

98%

形式

liquid

折射率

n20/D 1.388 (lit.)

bp

105-107 °C (lit.)

密度

1.27 g/mL at 25 °C (lit.)

储存温度

2-8°C

SMILES字符串

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

InChI

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

InChI key

SHXHPUAKLCCLDV-UHFFFAOYSA-N

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一般描述

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。

应用

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

象形图

FlameExclamation mark

警示用语:

Warning

危险分类

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

WGK

WGK 3

闪点(°F)

closed cup

闪点(°C)

closed cup

个人防护装备

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

法规信息

危险化学品

分析证书(COA)

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