227153
3-クロロ-2,4-ペンタンジオン
97%
別名:
3-クロロアセチルアセトン
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この商品について
化学式:
CH3COCHClCOCH3
CAS番号:
分子量:
134.56
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
216-902-4
Beilstein/REAXYS Number:
605870
MDL number:
Assay:
97%
Quality Level
assay
97%
refractive index
n20/D 1.483 (lit.)
bp
49-52 °C/18 mmHg (lit.)
density
1.1921 g/mL at 20 °C (lit.)
functional group
chloro, ketone
storage temp.
2-8°C
SMILES string
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
関連するカテゴリー
General description
The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.
Application
3-Chloro-2,4-pentanedione was used in the synthesis of tetrathiafulvenyl-acetylacetonate (TTFSacacH), precursor of novel redox-active ligands.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
保管分類
3 - Flammable liquids
wgk
WGK 3
flash_point_f
132.8 °F - closed cup
flash_point_c
56 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
適用法令
試験研究用途を考慮した関連法令を主に挙げております。化学物質以外については、一部の情報のみ提供しています。 製品を安全かつ合法的に使用することは、使用者の義務です。最新情報により修正される場合があります。WEBの反映には時間を要することがあるため、適宜SDSをご参照ください。
第4類:引火性液体 + 第一石油類 + 危険等級II + 非水溶性液体
fsl
227153-BULK: + 227153-VAR: + 227153-100G: + 227153-1KG: + 227153-5G: + 227153-10KG:
jan
Natalya V Belova et al.
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
Julien Massue et al.
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
Almeqdad Y Habashneh et al.
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
Jennifer A Jacobsen et al.
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
ライフサイエンス、有機合成、材料科学、クロマトグラフィー、分析など、あらゆる分野の研究に経験のあるメンバーがおります。.
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