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| CAS No.: | 14553-09-4 |
|---|---|
| Name: | PRASEODYMIUM(III) ACETYLACETONATE HYDRATE |
| Molecular Structure: | |
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| Formula: | C15H21O6Pr |
| Molecular Weight: | 456.25 |
| Synonyms: | Praseodymium,tris(2,4-pentanedionato)- (6CI,7CI,8CI);Praseodymium,tris(2,4-pentanedionato-O,O')-, (OC-6-11)-;Praseodymium,tris(2,4-pentanedionato-kO,kO')-, (OC-6-11)- (9CI);NSC139617;Prasodymium tris(acetylacetonate);Tris(2,4-pentanedionato)praseodymium;Tris(acetylacetonato)praseodymium; |
| EINECS: | 238-600-1 |
| Melting Point: | 130 °C |
| Boiling Point: | 187.6 °C at 760 mmHg |
| Flash Point: | 71.9 °C |
| Appearance: | Dark brown powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22-36/37/38-63 |
| Safety: | 26-36 |
| PSA: | 78.90000 |
| LogP: | 2.79820 |
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Specification
The Praseodymium (III) 2,4-pentanedionate, with the CAS registry number 14553-09-4, is also known as Tris(2,4-pentanedionato)praseodymium. Its EINECS registry number is 238-600-1. This chemical's molecular formula is C15H21O6Pr and molecular weight is 438.23. What's more, its IUPAC name is (Z)-4-Oxopent-2-en-2-olate, praseodymium(3+) and systematic name is called Praseodymium tris[(2Z)-4-oxopent-2-en-2-olate].
Physical properties about Praseodymium (III) 2,4-pentanedionate 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; (17) Melting Point: 130 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause damage to health. In addition, it is harmful by inhalation, in contact with skin and if swallowed and possible risk of harm to the unborn child. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Pr+3].O=C(/C=C(\[O-])C)C.[O-]\C(=C/C(=O)C)C.[O-]\C(=C/C(=O)C)C
(2) InChI: InChI=1/3C5H8O2.Pr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
(3) InChIKey: NOXQKISUYACYGB-QQVDQASFBQ