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Zinc acetylacetonate hydrate

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Name

Zinc acetylacetonate hydrate

EINECS 237-860-3
CAS No. 108503-47-5 Density N/A
PSA 52.60000 LogP 1.91770
Solubility decomposed by H2O; soluble benzene, acetone [HAW93] Melting Point 135-138 ºC
Formula C10H14O4Zn.H2O Boiling Point sublimes [HAW93]
Molecular Weight 281.62 Flash Point N/A
Transport Information N/A Appearance White needle crystal or powder
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 108503-47-5 (ZINC ACETYLACETONATE HYDRATE) Hazard Symbols IrritantXi
Synonyms

Zinc,bis(2,4-pentanedionato-O,O')-, hydrate, (T-4)-;

 

Zinc acetylacetonate hydrate Specification

The systematic name of Zinc acetylacetonate hydrate is bis[(Z)-1-methyl-3-oxo-but-1-enoxy]zinc hydrate. With the CAS registry number 108503-47-5, it is also named as Acetylacetone zinc(+2)monohydrate. It is white needle crystal or powder which is soluble in benzene, ethanol, acetone and other dry organic solvents. In addition, it can hydrolyze with water and can sublime under vacuum conditions. 

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 61.83 Å2; (5)Melting point: 135-138°C.

Preparation of Zinc acetylacetonate hydrate: 100g (1mol) acetyl acetone and 40g (1mol) NaOH are dissolved in 500mL water and adding the solution of 144g (0.5mol) zinc sulfate heptahydrate dissolving in 500ml water. Standing 1h, filtering and washing. Then we can get 122g zinc acetylacetonate monohydrate. The yield is 87%.

When you are using this chemical, please be cautious about it as the following:
The Zinc acetylacetonate hydrate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(C)\C=C(\C)O[Zn]OC(\C)=C/C(C)=O.O
2. InChI: InChI=1/2C5H8O2.H2O.Zn/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2/b2*4-3-;;
3. InChIKey: KUJHAYOLESEVSA-NKJQKDQFBO
4. Std. InChI: InChI=1S/2C5H8O2.H2O.Zn/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2/b2*4-3-;;
5. Std. InChIKey: KUJHAYOLESEVSA-SUKNRPLKSA-L

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