质量水平
检测方案
97%
折射率
n20/D 1.483 (lit.)
bp
49-52 °C/18 mmHg (lit.)
密度
1.1921 g/mL at 20 °C (lit.)
储存温度
2-8°C
SMILES字符串
CC(=O)C(Cl)C(C)=O
InChI
1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChI key
VLRGXXKFHVJQOL-UHFFFAOYSA-N
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一般描述
用气体电子衍射 (GED) 和量子化学计算 研究了 3-氯-2,4-戊二酮的互变异构体属性。
应用
3-氯-2,4-戊二酮被用于合成四硫富勒烯酰乙酰丙酮 (TTFSacacH),这是新型氧化还原活性配体的前体 。
警示用语:
Warning
危险分类
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
WGK
WGK 3
闪点(°F)
closed cup
闪点(°C)
closed cup
个人防护装备
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
Inorganic chemistry, 44(24), 8740-8748 (2005-11-22)
The reaction of tris(alkylthio)tetrathiafulvalene thiolates with 3-chloro-2,4-pentanedione affords tetrathiafulvalene (TTF) moieties substituted by the acetylacetone function (TTFSacacH), precursors of novel redox-active ligands: the acetylacetonate ions (TTFSacac). These TTFSacacHs have been characterized by X-ray diffraction analyses, and similar trends have been
The journal of physical chemistry. A, 112(14), 3209-3214 (2008-03-07)
The tautomeric properties of alpha-chlorinated acetylacetone, 3-chloro-2,4-pentanedione CH3C(O)-CHCl-C(O)CH3, have been investigated by gas electron diffraction (GED) and quantum chemical calculations (B3LYP and MP2 approximations with different basis sets up to cc-pVTZ). Analysis of the GED intensities resulted in the presence
Archiv der Pharmazie, 347(6), 415-422 (2014-03-13)
A new series of N1-(flavon-6-yl)amidrazones were synthesized by reacting the hydrazonoyl chloride derived from 6-aminoflavone with the appropriate sec-cyclic amines. The antitumor activities of these compounds were evaluated on breast cancer (MCF-7) and leukemic (K562) cell lines. Among the compounds
Journal of medicinal chemistry, 54(2), 591-602 (2010-12-30)
Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced hit rates ranging from 29% to 43% for five matrix metalloproteases
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