tetrakis(triphenylphosphane) λ2-ruthenium

• ChemBase ID: 150458
• Molecular Formular: C72H60P4Ru
• Molecular Mass: 1150.211844
• Monoisotopic Mass: 1150.26889744
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ru]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ru]
• InChI: InChI=1S/4C18H15P.Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H
• InChIKey: BFPFOLJFUVTHEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(triphenylphosphane) λ^2-ruthenium
• IUPAC Traditional name: tetrakis(triphenylphosphine) λ^2-ruthenium
• Synonyms: Tetrakis(triphenylphosphine)ruthenium dihydride; Dihydridotetrakis(triphenylphosphine)ruthenium(II); 二氢四(三苯基膦)钌

Database IDs

• CAS Number: 19529-00-1
• MDL Number: MFCD04126429
• PubChem SID: 162244619; 24860280
• PubChem CID: 11981970

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 181-183 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [(C6H5)3P]4RuH2

DETAILS

Sigma Aldrich - 335037

Application
Catalyst for hydration of nitriles, isomerization of alkynes,Knoevenagel reactions and conjugate additions, and transferhydrogenation
Packaging
500 mg in glass bottle