CAS No.37473-67-9,Neodymium trifluoroacetylacetonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37473-67-9
Name:	Neodymium trifluoroacetylacetonate

Formula:	C₁₅H₁₂F₉NdO₆
Molecular Weight:	603.4798
Synonyms:	Neodymium,tris(1,1,1-trifluoro-2,4-pentanedionato-O,O')-;Neodymium, tris(1,1,1-trifluoro-2,4-pentanedionato-kO,kO')- (9CI);2,4-Pentanedione, 1,1,1-trifluoro-, neodymium complex;Tris(1,1,1-trifluoroacetylacetonato)neodymium;
Melting Point:	140 °C
Boiling Point:	195.6 °C at 760 mmHg
Flash Point:	72.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	78.90000
LogP:	4.50750

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Specification

The Neodymium trifluoroacetylacetonate, with the CAS registry number 37473-67-9, is also called neodymium tris[(2Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate], and it should be stored in the dry and cool environment. The molecular formula of the chemical is C₁₅H₁₂F₉NdO₆.

The characteristics of Neodymium trifluoroacetylacetonate are as followings: (1)# of Rule of 5 Violations: ; (2)ACD/LogD (pH 5.5): 2.7; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 66.82; (5)ACD/BCF (pH 7.4): 55.91; (6)ACD/KOC (pH 5.5): 704.04; (7)ACD/KOC (pH 7.4): 589.02; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 120.39 Å²; (12)Flash Point: 72.1 °C; (13)Enthalpy of Vaporization: 50.24 kJ/mol; (14)Boiling Point: 195.6 °C at 760 mmHg; (15)Vapour Pressure: 0.108 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Nd+3].FC(F)(F)C(/[O-])=C/C(=O)C.FC(F)(F)C(/[O-])=C/C(=O)C.FC(F)(F)C(/[O-])=C/C(=O)C
(2)InChI: InChI=1/3C5H5F3O2.Nd/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,10H,1H3;/q;;;+3/p-3/b3*4-2-;
(3)InChIKey: KTLHZDJUYKSPFU-WVBYNJAUBO