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| CAS No.: | 19185-99-0 |
|---|---|
| Name: | Lithium acetylacetonate |
| Molecular Structure: | |
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| Formula: | C5H7LiO2 |
| Molecular Weight: | 106.05 |
| Synonyms: | Acetylacetone lithium derivative;lithium (2Z)-4-oxopent-2-en-2-olate;2,4-Pentanedione lithium derivative;2,4-Pentanedione, ion(1-), lithium;Li(acac);19185-99-0; |
| EINECS: | 242-008-9 |
| Melting Point: | 250 °C (dec.)(lit.) |
| Boiling Point: | 187.6 °C at 760 mmHg |
| Flash Point: | 71.9 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38-63 |
| Safety: | 26-36/37/39 |
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Specification
The Lithium acetylacetonate, with the CAS registry number 19185-99-0, is also known as Acetylacetone lithium derivative. Its EINECS number is 242-008-9. This chemical's molecular formula is C5H7LiO2 and molecular weight is 106.05. What's more, its systematic name is lithium (2Z)-4-oxopent-2-en-2-olate.
Physical properties of Lithium acetylacetonate are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.16; (8)ACD/KOC (pH 7.4): 31.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 71.9 °C; (14)Enthalpy of Vaporization: 49.32 kJ/mol; (15)Boiling Point: 187.6 °C at 760 mmHg; (16)Vapour Pressure: 0.174 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. Still, there is possible risk of harm to the unborn child. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it,you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Li+].[O-]\C(=C/C(=O)C)C
(2)InChI: InChI=1/C5H8O2.Li/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-;
(3)InChIKey: JTEOOCAGEXVCBQ-MQRWRBJZBA