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| CAS No.: | 14588-08-0 |
|---|---|
| Name: | Bis(triphenylphosphinepalladium) acetate |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C40H36O4P2Pd |
| Molecular Weight: | 749.091 |
| Synonyms: | Bis(triphenylphosphinepalladium) acetate;Palladium,bis(acetato)bis(triphenylphosphine)- (7CI,8CI);Palladium,bis(acetato-O)bis(triphenylphosphine)-;Bis(acetato)bis(triphenylphosphine)palladium;Bis(triphenylphosphine)diacetatopalladium;Bis(triphenylphosphine)palladiumdiacetate;Bis(triphenylphosphine)palladium(II) acetate;Diacetoxybis(triphenylphosphine)palladium; |
| EINECS: | 238-628-4 |
| Melting Point: | 136 °C (dec.)(lit.) |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 181.7 °C |
| Appearance: | yellow powder |
| Hazard Symbols: |
 Xn
|
| Safety: | 22-24/25 |
| PSA: | 79.78000 |
| LogP: | 6.91720 |
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Specification
The Palladium, bis(acetato-kO)bis(triphenylphosphine)- (9CI), with CAS registry number 14588-08-0, belongs to the following product categories: (1)Metal Compounds; (2)Catalysts for Organic Synthesis; (3)Classes of Metal Compounds; (4)Homogeneous Catalysts; (5)Metal Complexes; (6)Pd (Palladium) Compounds; (7)Synthetic Organic Chemistry; (8)Transition Metal Compounds. It has the systematic name of palladium(2+) acetate triphenylphosphane (1:2:2). This chemical is a kind of yellow powder. It should be stored at the temperature of −20°C. When use it, do not breathe dust and avoid contact with skin and eyes.
Physical properties of Palladium, bis(acetato-kO)bis(triphenylphosphine)- (9CI): (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12427.96; (6)ACD/BCF (pH 7.4): 12427.96; (7)ACD/KOC (pH 5.5): 29672.91; (8)ACD/KOC (pH 7.4): 29672.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å2; (13)Enthalpy of Vaporization: 58.18 kJ/mol; (14)Vapour Pressure: 4.74E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Pd+2].[O-]C(=O)C.[O-]C(=O)C.c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4);/q;;;;+2/p-2
(3)InChIKey: UVBXZOISXNZBLY-NUQVWONBAC
(4)Std. InChI: InChI=1S/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4);/q;;;;+2/p-2
(5)Std. InChIKey: UVBXZOISXNZBLY-UHFFFAOYSA-L