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Ruthenium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)- (14284-93-6)

Identification
Name:Ruthenium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-
Synonyms:Ruthenium,tris(2,4-pentanedionato)- (6CI,7CI,8CI);Ruthenium,tris(2,4-pentanedionato-O,O')-, (OC-6-11)-;Ruthenium, tris(2,4-pentanedionato-kO,kO')-, (OC-6-11)- (9CI);NSC 139624;Rutheniumacetylacetonate;Ruthenium tris(acetylacetonate);Tris(2,4-pentanedionato)ruthenium;Tris(acetoacetonato)ruthenium(III);Tris(acetylacetonate)ruthenium;Tris(acetylacetonato)ruthenium;
CAS:14284-93-6
EINECS: 238-193-0
Molecular Formula: C15H21O6Ru
Molecular Weight: 398.39
InChI: InChI=1/3C5H7O2.Ru/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3
Molecular Structure: (C15H21O6Ru) Ruthenium,tris(2,4-pentanedionato)- (6CI,7CI,8CI);Ruthenium,tris(2,4-pentanedionato-O,O')-, (OC-6-11...
Properties
Density:g/cm3
Water Solubility:Soluble in acetone, chlorinated hydrocarbons, alcohols, cyclohexane and
Solubility:Soluble in acetone, chlorinated hydrocarbons, alcohols, cyclohexane and
Appearance:dark-red crystals
Specification:

The Ruthenium acetylacetonate is an organic compound with the formula C15H21O6Ru. The IUPAC name of this chemical is (Z)-4-oxopent-2-en-2-olate; ruthenium(3+). With the CAS registry number 14284-93-6, it is also named as Ruthenium(3+) tris[(2Z)-4-oxopent-2-en-2-olate]. The product's categories are Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Metal Complexes; Ru (Ruthenium) Compounds; Synthetic Organic Chemistry; Transition Metal Compounds. Besides, it is a dark-red crystals, which should be stored in a cool, dry, inert gas environment.

Physical properties about Ruthenium acetylacetonate are: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.16; (7)ACD/KOC (pH 7.4): 31.16; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å2; (12)Flash Point: 71.9 °C; (13)Enthalpy of Vaporization: 49.32 kJ/mol; (14)Boiling Point: 187.6 °C at 760 mmHg; (15)Vapour Pressure: 0.174 mmHg at 25°C.

Preparation: this chemical can be synthesized by the reaction of ruthenium(III) chloride and acetylacetone in the presence of potassium bicarbonate. Chemical reaction is as follows: RuCl3•3H2O + MeCOCH2COMe → Ru(acac)3 + 3 H3O+ +3 Cl-

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are 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: [Ru+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.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
(3)InChIKey: RTZYCRSRNSTRGC-QQVDQASFBX
(4)Std. InChI: InChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
(5)Std. InChIKey: RTZYCRSRNSTRGC-LNTINUHCSA-K

Safety Data
Hazard Symbols Xi:Irritant
 

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