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13963-57-0

Basic Information
CAS No.: 13963-57-0
Name: Aluminum,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-
Article Data: 12
Cas Database
Molecular Structure:
Molecular Structure of 13963-57-0 (Aluminum,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-)
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: ToxicT
Risk Codes: 25-36/37/38-36
Safety: 26-36/37/39-45-28A
Transport Information: UN 3467
PSA: 78.90000
LogP: 2.88030
Synthetic route

aluminum hydroxide

123-54-6

acetylacetone

13963-57-0

aluminium acetylacetonate

Conditions
ConditionsYield
at 0 - 50℃; for 0.75h;91%
123-54-6

acetylacetone

AlCl3

AlCl3

13963-57-0

aluminium acetylacetonate

Conditions
ConditionsYield
With chloroform
With ammonia; water
123-54-6

acetylacetone

Al(OH)3

Al(OH)3

13963-57-0

aluminium acetylacetonate

75-36-5

acetyl chloride

AlCl3

AlCl3

A

13963-57-0

aluminium acetylacetonate

B

123-54-6

acetylacetone

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
ConditionsYield
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.;
7446-70-0

aluminium trichloride

123-54-6

acetylacetone

13963-57-0

aluminium acetylacetonate

Conditions
ConditionsYield
In water in acidic medium;

tris(o-chlorophenoxo)aluminium(III)

13963-57-0

aluminium acetylacetonate

Conditions
ConditionsYield
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

A

aluminium hydride

B

7440-02-0

nickel

C

13963-57-0

aluminium acetylacetonate

D

18115-70-3

lithium pentane-2,4-dionate

Conditions
ConditionsYield
In tetrahydrofuran; benzene byproducts: H2; various product ratios at various reactant ratios; not isolated, detected by GLC, UV, IR;

aluminium(III) sulfate hexadecahydrate

123-54-6

acetylacetone

13963-57-0

aluminium acetylacetonate

Conditions
ConditionsYield
Stage #1: acetylacetone With ammonia In water
Stage #2: aluminium(III) sulfate hexadecahydrate In water

C65H75N7O20

13963-57-0

aluminium acetylacetonate

2,3,9,10,16,17,23,24-tetra(15-crown-5)phthalocyaninatoaluminum(III) hydroxide

Conditions
ConditionsYield
With 1,2,3-trichlorobenzene; phenol In octanol93%
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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,