CAS No.14284-94-7,SCANDIUM (III) 2,4-PENTANEDIONATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	14284-94-7
Name:	SCANDIUM (III) 2,4-PENTANEDIONATE
Article Data:	9

Formula:	C₁₅H₂₁O₆Sc
Molecular Weight:	342.284
Synonyms:	Scandium,tris(2,4-pentanedionato)- (6CI,7CI,8CI);Scandium,tris(2,4-pentanedionato-O,O')-, (OC-6-11)-;Scandium, tris(2,4-pentanedionato-kO,kO')-, (OC-6-11)- (9CI);Scandiumtris(acetylacetonate);Tris(acetylacetonato)scandium;
EINECS:	238-194-6
Melting Point:	174-186 °C (lit.)
Boiling Point:	187.6 °C at 760 mmHg
Flash Point:	71.9 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	22-26-36
PSA:	78.90000
LogP:	2.88030

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Specification

The Tris(pentane-2, 4-dionato-O, O')scandium, with the CAS registry number 14284-94-7, is also known as Scandium tris(4-oxopent-2-en-2-olate). Its EINECS registry number is 238-194-6. This chemical's molecular formula is C₁₅H₂₁O₆Sc and molecular weight is 342.28. What's more, its IUPAC name is 4-Oxopent-2-en-2-olate; scandium(3+).

Physical properties about Tris(pentane-2, 4-dionato-O, O')scandium 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:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful if swallowed. Besides, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Sc+3].O=C(C=C([O-])C)C.[O-]C(=CC(=O)C)C.[O-]C(=CC(=O)C)C
(2) InChI: InChI=1/3C5H8O2.Sc/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
(3) InChIKey: QEXWAFFWPWSBON-DFZHHIFOAT