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| CAS No.: | 15529-49-4 |
|---|---|
| Name: | Tris(triphenylphosphine)ruthenium(II) chloride |
| Article Data: | 27 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C54H45Cl2P3Ru |
| Molecular Weight: | 958.849 |
| Synonyms: | Dichlorotris(triphenylphosphine)ruthenium;Ruthenium tris(triphenylphosphine) dichloride;Tris(triphenylphosphine)dichlororuthenium;Tris(triphenylphosphine)ruthenium dichloride;Tris(triphenylphosphine)ruthenium(II) dichloride; |
| EINECS: | 239-569-7 |
| Melting Point: | 159 °C |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 181.7 °C |
| Solubility: | Insoluble in water |
| Appearance: | black crystals |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22-20/21 |
| Safety: | 36/37-22 |
| PSA: | 40.77000 |
| LogP: | 11.71340 |
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Specification
The systematic name of Tris(triphenylphosphine)ruthenium(II) chloride is ruthenium(2+) chloride triphenylphosphane (1:2:3). With the CAS registry number 15529-49-4, it is also named as Dichlorotris(triphenylphosphine)ruthenium. The product's categories are Metal Compounds; Catalysts for Organic Synthesis; Classes of Metal Compounds; Environmentally-friendly Oxidation; Homogeneous Catalysts; Metal Complexes; Ru (Ruthenium) Compounds; Synthetic Organic Chemistry; Transition Metal Complexes (Environmentally-friendly Oxidation); Transition Metal Compounds. It is black powder which is sensitive to air and moisture.
The other characteristics of this product can be summarized as: (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)Flash Point: 181.7 °C; (14)Enthalpy of Vaporization: 58.18 kJ/mol; (15)Boiling Point: 360 °C at 760 mmHg; (16)Vapour Pressure: 4.74E-05 mmHg at 25°C.
Preparation of Tris(triphenylphosphine)ruthenium(II) chloride: It can be obtained by the reaction of ruthenium trichloride trihydrate with a methanolic solution of triphenylphosphine.
2 RuCl3(H2O)3 + 7 PPh3 → 2 RuCl2(PPh3)3 + 2 HCl + 5 H2O + 1 OPPh3
Uses of Tris(triphenylphosphine)ruthenium(II) chloride: It is used as catalyst in organic synthesis. For example: it is used in the Kharasch addition of chlorocarbons to alkenes.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed, so people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:[Ru+2].[Cl-].[Cl-].c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3.c1ccccc1P(c2ccccc2)c3ccccc3
2. InChI:InChI=1/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2
3. InChIKey:WIWBLJMBLGWSIN-NUQVWONBAX