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| CAS No.: | 13963-57-0 |
|---|---|
| Name: | Aluminum acetylacetonate |
| Molecular Structure: | |
|
|
|
| Formula: | C15H21AlO6 |
| Molecular Weight: | 324.31 |
| Synonyms: | Tris(acetylacetonate) aluminum(III);Aluminum 2,4-pentanedionate;Aluminum triacetylacetonate;Aluminum tris(acetylacetonate);CCRIS 3463;NSC 4650; |
| EINECS: | 237-741-6 |
| Density: | 1.27 g/cm3 |
| Melting Point: | 190-193 °C(lit.) |
| Boiling Point: | 315°C(lit.) |
| Flash Point: | 314-316°C |
| Solubility: | 2.5 g/L (20 °C) in water |
| Appearance: | white to yellow powder or crystals |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-36/37/38-36 |
| Safety: | 26-36/37/39-45-28A |
| Transport Information: | UN 3467 |
| PSA: | 78.90000 |
| LogP: | 2.88030 |
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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| Conditions | Yield |
|---|---|
| at 0 - 50℃; for 0.75h; | 91% |
| Conditions | Yield |
|---|---|
| With chloroform | |
| With ammonia; water |
- 70504-66-4, 45188-39-4
copper bis(tetraisopropoxyaluminate)
- 123-54-6
acetylacetone
A
- 13963-57-0
aluminium acetylacetonate
B
- 13395-16-9
copper(II) acetylacetonate
| Conditions | Yield |
|---|---|
| In benzene byproducts: i-propanol; the i-propoxy-complex and acetylacetone (1:8 molar ratio) were refluxedin benzene for 10 h (isopropanol was removed azeotropically out between72-80°C along with benzene); removing the solvent; elem. anal.; |
| Conditions | Yield |
|---|---|
| In water in acidic medium; |
- 13963-57-0
aluminium acetylacetonate
| Conditions | Yield |
|---|---|
| With acetylacetone In benzene stirring Al complex and diketone (molar ratio 1/6, slight excess) with stirring, 6h; aaddn. of petroleum ether; pptn.; recrystn. (benzene/acetone); elem. anal.; |
- 16853-85-3
lithium aluminium tetrahydride
- 3264-82-2
nickel(II) acetylacetonate
B
- 7440-02-0
nickel
C
- 13963-57-0
aluminium acetylacetonate
D
- 18115-70-3
lithium pentane-2,4-dionate
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; benzene byproducts: H2; various product ratios at various reactant ratios; not isolated, detected by GLC, UV, IR; |
| Conditions | Yield |
|---|---|
| Stage #1: acetylacetone With ammonia In water Stage #2: aluminium(III) sulfate hexadecahydrate In water |
- 13963-57-0
aluminium acetylacetonate
| Conditions | Yield |
|---|---|
| With 1,2,3-trichlorobenzene; phenol In octanol | 93% |
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Specification
The IUPAC name of Aluminum acetylacetonate is (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyloxypent-3-en-2-one. With the CAS registry number 13963-57-0, it is also named as Tris(acetylacetonate) aluminum(III). The product's categories are Pharmaceutical Intermediates; Organometallics; Al (Alminum) Compounds; Catalysts for Organic Synthesis; Homogeneous Catalysts; Metal Complexes; Synthetic Organic Chemistry; Classes of Metal Compounds; Typical Metal Compounds. It is white to yellow powder or crystals which is soluble in benzene, ethanol, ether and other organic solvents. In addition, it should be sealed in the container and stored in the cool and dry place.
The other characteristics of Aluminum acetylacetonate can be summarized as: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 78.9 Å2; (5)Rotatable Bond Count: 9; (6)Tautomer Count: 35; (7)Exact Mass: 324.115352; (8)MonoIsotopic Mass: 324.115352; (9)Topological Polar Surface Area: 78.9; (10)Heavy Atom Count: 22; (11)Complexity: 454.
Preparation of Aluminum acetylacetonate: New distilled acetylacetone dissolves in 40mL water. Dropping ammonia to acetyl acetone under stirring. The aluminum sulfate dissolves in water, and adding this solution to acetylacetone ammonia solution to produce precipitation. Controlling pH value is neutral during the reaction. Filtering, washing and naturally dry. Crude product is dissolved with a small amount of benzene, and filtering. Slowly dropping petroleum ether to the filtrate to produce precipitation. Filtering, washing with petroleum ether and naturally drying, then we can get the product.
Uses of Aluminum acetylacetonate: this chemical can be used as catalyst, crosslinker and glass coating. And it is also used as intermediate in organic synthesis.
When you are using this chemical, please be cautious about it as the following:
It is not only toxic if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:CC(=CC(=O)C)O[Al](OC(=CC(=O)C)C)OC(=CC(=O)C)C
2. InChI:InChI=1/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 178mg/kg (178mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02376, |