sodium acetylacetonate monohydrate - CAS号 86891-03-4

物化性质

熔点：

230 °C (dec.)(lit.)
稳定性/保质期：

按规定使用和贮存的不会分解，需避免潮湿。

计算性质

辛醇/水分配系数(LogP)：

-3.45
重原子数：

9
可旋转键数：

2
环数：

0.0
sp3杂化的碳原子比例：

0.4
拓扑面积：

35.1
氢给体数：

1
氢受体数：

4

安全信息

TSCA：

Yes
危险品标志：

Xn
安全说明：

S26,S36,S37,S39
危险类别码：

R20/21/22,R40,R36/37/38
WGK Germany：

3
海关编码：

2915900090

SDS

SDS：7cef5af1a2920066375575386c99a9b1

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Section 1. Chemical Product and Company Identification
Sodium Acetylacetonate Monohydrate
Common Name/
Trade Name
Sodium Acetylacetonate Monohydrate

Section 4. First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
Eye Contact
15 minutes. Get medical attention if irritation occurs.
Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
Skin Contact
Serious Skin Contact Not available.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Not available.
Serious Inhalation
Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
Ingestion
unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
clothing such as a collar, tie, belt or waistband.
Not available.
Serious Ingestion

Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Not available.
Flash Points
Not available.
Flammable Limits
These products are carbon oxides (CO, CO2). Some metallic oxides.
Products of Combustion
Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
Various Substances
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards in
Risks of explosion of the product in presence of static discharge: Not available.
Presence of Various
Substances
SMALL FIRE: Use DRY chemical powder.
Fire Fighting Media
LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
and Instructions
Material in powder form, capable of creating a dust explosion. As with most organic solids, fire is possible at elevated
Special Remarks on
temperatures
Fire Hazards
Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
Special Remarks on
explosion hazard.
Explosion Hazards

Section 6. Accidental Release Measures
Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading
Small Spill
water on the contaminated surface and dispose of according to local and regional authority requirements.
Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on
Large Spill
the contaminated surface and allow to evacuate through the sanitary system.
Sodium Acetylacetonate Monohydrate

Section 7. Handling and Storage
Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
Precautions
breathe dust. Keep away from incompatibles such as oxidizing agents, acids.
Keep container tightly closed. Keep container in a cool, well-ventilated area. Hygroscopic
Storage

Section 8. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
Engineering Controls
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
of a Large Spill
handling this product.
Exposure Limits Not available.

Section 9. Physical and Chemical Properties
Solid. (Powdered solid.) Not available.
Physical state and O dor
appearance
Not available.
Taste
140.11 g/mole
Molecular Weight
Beige. Off-white. (Light.)
Color
Not available.
pH (1% soln/water)
Not available.
Boiling Point
Not available.
Melting Point
Not available.
Critical Temperature
Not available.
Specific Gravity
Not applicable.
Vapor Pressure
Not available.
Vapor Density
Not available.
Volatility
Not available.
Odor Threshold
Not available.
Water/Oil Dist. Coeff.
Not available.
Ionicity (in Water)
Not available.
Dispersion Properties
Not available.
Solubility

Section 10. Stability and Reactivity Data
The product is stable.
Stability
Not available.
Instability Temperature
Conditions of Instability Excess heat, incompatible materials
Incompatibility with various Reactive with oxidizing agents, acids.
substances
Not available.
Corrosivity
Sodium Acetylacetonate Monohydrate
Hygroscopic; keep container tightly closed.
Special Remarks on
Reactivity
Not available.
Special Remarks on
Corrosivity
Will not occur.
Polymerization

Section 11. Toxicological Information
Inhalation. Ingestion.
Routes of Entry
Toxicity to Animals LD50: Not available.
LC50: Not available.
Chronic Effects on Humans Not available.
Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Other Toxic Effects on
Humans
Not available.
Special Remarks on
Toxicity to Animals
Not available.
Special Remarks on
Chronic Effects on Humans
Acute Potential Health Effects:
Special Remarks on other
Skin: May cause skin irritation.
Toxic Effects on Humans
Eyes: May cause eye irritation.
Inhalation: May cause respiratory tract irritation.
Ingestion: Expected to be a low hazard.

Section 12. Ecological Information
Not available.
Ecotoxicity
Not available.
BOD5 and COD
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
The product itself and its products of degradation are not toxic.
Toxicity of the Products
of Biodegradation
Not available.
Special Remarks on the
Products of Biodegradation

Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental control
regulations.

Section 14. Transport Information
Not a DOT controlled material (United States).
DO T Cl assi fi cati on
Not applicable.
Identification
Not applicable.
Special Provisions for
Transport
Sodium Acetylacetonate Monohydrate
DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California prop. 65: This product contains the following ingredients for which the State of California has found to
California
cause cancer which would require a warning under the statute: No products were found.
Proposition 65
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has found to
cause birth defects which would require a warning under the statute: No products were found.
EINECS: This product is not on the European Inventory of Existing Commercial Chemical Substances.
Other Regulations
Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non- Domestic Substance List (NDSL).
China: Not listed on National Inventory.
Japan: Not listed on National Inventory (ENCS).
Korea: Not listed on National Inventory (KECI).
Philippines: Not listed on National Inventory (PICCS).
Australia: Not listed on AICS.
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) This product is not classified according Not applicable.
to the EU regulations.
Health Hazard
HMIS (U.S.A.) 1 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
1 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG(Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Sodium Acetylacetonate Monohydrate
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or equivalent.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

sodium acetylacetonate monohydrate 、 [(η6-C6H6)Ru(μ-N3)Cl]2 以乙醇为溶剂，以41%的产率得到[(η-C6H6)Ru(O,O'-acetylacetonate)(N3)]

参考文献：

名称：

活化炔烃和富马腈的[3 + 2]环加成反应与苯钌叠氮基络合物的合成[3 + 2]

摘要：

摘要通过[（η6 -C 6 H 6）RuCl 2] 2与叠氮化钠反应制得双核络合物[（η6 -C 6 H 6）Ru（μ-N3）Cl] 2（1）。在乙醇中。通式[（η6 -C 6 H 6）Ru（L∩L）Cl]的苯钌β-二酮配合物{L∩L= O，O'-acac（2）; O，O'-bzac（3）; 通过[（η6 -C 6 H 6）RuCl 2] 2与相应的β-二酮酸酯的反应，在甲醇中获得O，O'-dbzm（4）}。这些络合物在乙醇中进一步与叠氮化钠反应，生成[（η6 -C 6 H 6）Ru（L∩L）N 3] [L∩L= O，O'-acac（5）; L∩L= O，O'-bzac（6）; L∩L＝ O，O′-dbzm（7）]。配合物5 – 7也可以通过用β-二酮盐的钠盐处理1来获得。这些中性苯钌叠氮基络合物与活化炔烃（MeO 2 CC CCO 2 Me，EtO 2 CC CCO 2 Et）或富马腈（NCHC

DOI：

10.1016/j.ica.2007.05.063
作为产物：

描述：

乙酰丙酮在水、 sodium t-butanolate 作用下，以异丙醇为溶剂，生成 sodium acetylacetonate monohydrate

参考文献：

名称：

One-dimensional coordination polymers in the crystal structures of sodium and potassium acetylacetonates

摘要：

The mixed ligand complexes [K-2(acac)(2)(H2O)](infinity) (I), [K-2(acac)(2)(Phen)(H2O)](infinity) (II) [Na(acac)(H2O)](infinity), (III), [Na-3(acac)(3)((PrOH)-Pr-i)](infinity) (IV), [Na-3(acac)(3)(Py)](infinity) (V) and [Na-2(acac)(2)(phen)](infinity) (VI) (Hacac = pentane-2,4-dione; phen = 1,10-phenanthroline; (PrOH)-Pr-i = iso-propanol; Py = pyridine) were synthesized by the reaction of the alkaline metal tert-butyloxide in dried solvent ((PrOH)-Pr-i, benzene or Py) with Hacac and phen. The products were characterized by elemental analysis, H-1 NMR and FTIR spectroscopy, and thermal analysis. The single-crystal structures were determined for the novel compounds II, IV and VI, and refined for I. The structures of I-VI consist of one-dimensional polymeric chains or ribbons which are described as a combination of formal binuclear structural blocks, [M-2(acac)(2)], of four types. Quantum chemical calculations on the four isomers of [M-2(acac)(2)] allowed us to explain different stabilities of the formal building blocks with M = Na and K. (C) 2015 Elsevier Ltd. All rights reserved.

DOI：

10.1016/j.poly.2015.03.003
作为试剂：

描述：

六氟磷酸钾、 (ferrocenylmethyl)phosphane 、 [Au3(μ-bis(2-diphenylphosphinoethyl)phenylphosphine)Cl3] 在 sodium acetylacetonate monohydrate 作用下，以二氯甲烷为溶剂，反应 12.0h，以56%的产率得到[Au6(μ-dpepp)3( μ3-Fc-CH2-P)2](PF6)2

参考文献：

名称：

六核磷化金络合物作为多个氧化还原活性二茂铁单元的平台

摘要：

合成，X射线晶体结构，一系列六核金（I）的电化学和光谱研究μ 3个由桥接的膦配体，[金稳定-ferrocenylmethylphosphido络合物6（P  P）Ñ（FC-CH 2 -P ）2 ] [PF 6 ] 2（n = 3，PP = dppm（双（二苯基膦基）甲烷）（1），dppe（1,2-双（二苯基膦基）乙烷）（2），dppp（1,3 -双（二苯基膦基）丙烷）（3），Ph 2 PN（C 3 H 7）-PPh 2（4），Ph 2 PN（Ph-CH 3 - p）PPh 2（5），dppf（1,1'-双（二苯基膦基）二茂铁）（6）; Ñ = 2，P  P = dpepp（双（2-二苯基膦基）苯基）（7）），对于多个氧化还原活性的二茂铁单元平台被报告。通过引入不同的桥接膦配体探索了簇结构变化的研究。这个类的金（I）μ 3 -ferrocenylmethylphosphido络合物已经

DOI：

10.1002/chem.201301948

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文献信息

(Pentamethylcyclopentadienato)rhodium Complexes for Delivery of the Curcumin Anticancer Drug

作者：Jack Markham、Jun Liang、Aviva Levina、Rachel Mak、Bernt Johannessen、Peter Kappen、Chris J. Glover、Barry Lai、Stefan Vogt、Peter A. Lay

DOI：10.1002/ejic.201601331

日期：2017.3.27

[RhIII(*Cp)Cl(X,Y)]n+ complexes (X,Y = Cl, PTA, n = 0 (2); X,Y = en, n = 1 (3, Cl- salt; 4, PF6- salt); X,Y = acac, n = 0 (5); X,Y = cur, n = 0 (6), where *Cp = pentamethylcyclopentadienato, curH = curcumin; PTA = 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane; en = 1,2-ethanediamine; acac = acetylacetonato = 2,4-pentanedionato(1-)) were synthesized from [Rh(*Cp)(µ-Cl)Cl]2 (1). While 2-5 were inactive

[RhIII(*Cp)Cl(X,Y)]n+ 络合物 (X,Y = Cl, PTA, n = 0 (2); X,Y = en, n = 1 (3, Cl-盐; 4, PF6 - 盐）；X,Y = acac，n = 0 (5)；X,Y = cur，n = 0 (6)，其中 *Cp = 五甲基环戊二烯，curH = 姜黄素；PTA = 1,3,5-三氮杂- 7-磷酸三环[3.3.1.1]癸烷；en = 1,2-乙二胺；acac = acetylacetonato = 2,4-pentanedionato(1-)) 由 [Rh(*Cp)(µ-Cl)Cl]2 ( 1）。虽然在细胞毒性、抗转移和促凋亡行为的测定中，2-5 对人上皮 A549 肺癌细胞无活性，但 6 在 72 小时内具有与 curH 相似的细胞毒活性，但在 24 小时实时细胞迁移化验中，它的活性较低，显示出 curH 的缓慢释放。所有复合物都在测定（X
Reduction of [NBu4][AuCl4] to [NBu4][AuCl2] with Sodium Acetylacetonate

作者：Robbie W. Buckley、Peter C. Healy、Wendy A. Loughlin

DOI：10.1071/c97029

日期：——

The preparation of crystalline [NBu4] [AuCl2] in 85-90% yield by the reduction of [NBu4] [AuCl4] with sodium acetylacetonate is reported together with procedures for the quantitative synthesis of crystalline [NBu4] [AuX4] (X = Cl, Br) through direct oxidation of metallic gold in X2/[NBu4] X/ethanol, and the determination of the crystal structure of [NBu4] [AuCl4].

以 85-90% 的收率制备晶体 [NBu4］将[NBu4 用乙酰丙酮钠还原[NBu4］ AuCl4]与乙酰丙酮钠的还原反应，制备出产率为 85-90% 的晶体[NBu4] [AuCl2 的定量合成过程。结晶[NBu4］ [AuX4]（X = Cl、Br）的定量合成过程。金属金在 X2/[NBu4］ X/乙醇中直接氧化金属金，从而定量合成晶体[NBu4] [AuX4]（X = Cl、Br）。 [NBu4]的晶体结构。 [AuCl4]的晶体结构。
Alkyl chain functionalised, cyclometalated platinum(II) complexes: Syntheses, luminescence properties and X-ray crystal structure

作者：Juliette A. Lowe、Oliver J. Stacey、Peter N. Horton、Simon J. Coles、Simon J.A. Pope

DOI：10.1016/j.jorganchem.2016.01.015

日期：2016.3

The synthesis and characterisation of nine new monometallic heteroleptic platinum complexes [PtCl(L1–3)(DMSO)], [Pt(L1–3)(acac)], [Pt(L1–3)(8-Q)] (where L1–3 = N-octyl/dodecyl/hexadecyl-2-phenylquinoline-4-carboxamides; acac = acetylacetonate; 8-Q = 8-quinolinato) are described. Single crystal X-ray diffraction studies on [Pt(L1)(acac)] revealed a square planar coordination geometry with intermolecular

九种新的单金属杂配铂络合物[PtCl（L 1–3）（DMSO），[Pt（L 1–3）（acac）]，[Pt（L 1–3）（8-Q） ]（其中L 1–3 = N-辛基/十二烷基/十六烷基-2-苯基喹啉-4-羧酰胺； acac =乙酰丙酮酸酯； 8-Q = 8-喹啉基）。[Pt（L 1）（acac）]的单晶X射线衍射研究表明，分子间Pt–Pt接触在ca处为方形平面配位几何。3.3Å。使用195 Pt 1 H} NMR光谱对复合物进行了研究，结果显示了周围的化学位移δ铂 -2800 ppm的是强烈依赖于铂（II）的具体协调环境。发光的研究表明所述复合物具有的磷光字符与605和641纳米之间可调发射波长和发光使用寿命期可达CA。450 ns。支持TD-DFT的研究提供了关键复合物类型的HOMO和LUMO能级的描述，它们通常与实验光谱很好地相关。Pt（5 d）中心对所计算的HOMO的贡献强烈
Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties

作者：Oliver J. Stacey、James A. Platts、Simon J. Coles、Peter N. Horton、Simon J. A. Pope

DOI：10.1021/acs.inorgchem.5b00817

日期：2015.7.6

from precursor dimeric Pt(II) species via an intermediate DMSO adduct of the general form [PtCl(L1–4)(DMSO)]. Single crystal X-ray diffraction studies were undertaken on three complexes, [Pt(L1)(acac)], [PtCl(L1)(DMSO)], and [Pt(L1)(bpy)](PF6). The structures show that the complexes each adopt a distorted square planar geometry (most severely in the case of [Pt(L1)(bpy)](PF6)) with indications of intermolecular

九种新的单金属杂金属铂配合物的合成[Pt（L1-4）（acac）]，[Pt（L1）（hmacac / hfacac）]，[PtCl（L1）（py）]，[Pt（L1）（8） -Q）]，[Pt（L1）（bpy）]（PF 6）（其中L1 = 2-苯基-4-乙基-喹啉羧酸酯; L2 / L3 = N -2-苯基-N-芳基/烷基-的官能化喹啉-4-羧酰胺； L4 = 2-苯基-4-喹啉羧酸（cinchophen）; acac =乙酰丙酮; hmacac = 2,2,6,6-四甲基-3,5-庚二酸酯; hfacac =六氟乙酰丙酮; py =吡啶;由前体二聚体Pt（II）物种通过一般形式的[PtCl（L1–4）（DMSO）]。对三种配合物[Pt（L1）（acac）]，[PtCl（L1）（DMSO）]和[Pt（L1）（bpy）]（PF 6）进行了单晶X射线衍射研究。结构表明，每个络合物均采用扭曲的正方形
2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and –cymantrene. Molecular structures of σ-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M=Fe, Ru) and σ-Pt{CpFe[C5H3(2-C5H4N)]}(acac)

作者：Karlheinz Sünkel、Ramona Branzan、Stefan Weigand

DOI：10.1016/j.ica.2013.01.022

日期：2013.4

RuCp, Mn(CO)3, R = H, CH3) react with cis-[PtCl2(DMSO)2] to give the cycloplatinated complexes σ-PtLnM[C5H2(2-C5H4N)(R)]}Cl (DMSO) (MLn = FeCp (R = H: 2a; R = Me: 2b), RuCp (R = H, 3a; R = Me, 3b), Mn(CO)3 (R = H, 4)). The reaction of 1a with the chiral sulfoxide complexes cis-[PtCl2S(O)Me(p-C6H4Me)}2] or K[PtCl3S(O)Me(p-C6H4Me)] yields a mixture of σ-PtCpFe[C5H2(2-C5H4N)(R)]}Cl[S(O)Me(p-C6H4Me)]

2-吡啶基茂金属[C 5 H 3 R（2-C 5 H 4 N）] ML n（1a – e，ML n = FeCp，RuCp，Mn（CO）3，R = H，CH 3）与顺式反应- [PtCl 2（DMSO）2 ]得到环铂配合物σ-PtL n M [C 5 H 2（2-C 5 H 4 N）（R）]} Cl（DMSO）（ML n = FeCp（ R = H：2a ; R = Me：2b），RuCp（R = H，3a ; R = Me，3b），Mn（CO）3（R = H，4））。的反应1A与手性亚砜配合物的顺式- [氯铂酸2 S（O）Me（p -C 6 H ^ 4 Me）的} 2 ]或K [氯铂酸3 S（O）我（p -C 6 H ^ 4我）]产生σ-PtCpFe [C 5 H 2（2-C 5 H 4 N）（R）]} Cl [S（O）Me（p -C 6 H 4 Me）]非对映异构体（R p R

sodium acetylacetonate monohydrate | 86891-03-4

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物化性质

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SDS

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