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Tris(pentane-2,4-dionato-O,O')cerium

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Name

Tris(pentane-2,4-dionato-O,O')cerium

EINECS 239-720-7
CAS No. 15653-01-7 Density N/A
PSA 78.90000 LogP 2.88030
Solubility N/A Melting Point 131-132 °C
Formula C15H21CeO6 Boiling Point 187.6 ºC at 760 mmHg
Molecular Weight 437.44 Flash Point 71.9 ºC
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 15653-01-7 (CERIUM ACETYL ACETONATE) Hazard Symbols R36/37/38:对眼睛、呼吸道和皮肤有刺激作用;
Synonyms

Cerium,tris(2,4-pentanedionato)- (6CI,7CI,8CI);Cerium,tris(2,4-pentanedionato-O,O')-, (OC-6-11)-;Cerium, tris(2,4-pentanedionato-kO,kO')-, (OC-6-11)- (9CI);ATsM 20;Ceriumacetylacetonate;Cerium tris(acetylacetonate);Cerium(III) acetylacetonate;Cerous acetylacetonate;Tris(2,4-pentanedionato)cerium;Tris(acetylacetonato)cerium;Cerium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-;

 

Tris(pentane-2,4-dionato-O,O')cerium Specification

The Tris(pentane-2,4-dionato-O,O')cerium, with the CAS registry number 15653-01-7, is also known as Cerium tris(acetylacetonate). Its EINECS number is 239-720-7. This chemical's molecular formula is C15H21CeO6 and molecular weight is 437.44. What's more, its systematic name is Tris(pentane-2,4-dionato-O,O')cerium. 

Physical properties of Tris(pentane-2,4-dionato-O,O')cerium 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 irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ce+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=1S/3C5H8O2.Ce/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
(3)InChIKey: PYPNFSVOZBISQN-LNTINUHCSA-K

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