λ2-ruthenium(2+) ion tris(triphenylphosphane) methyliumolate dihydride

• ChemBase ID: 303529
• Molecular Formular: C55H45OP3Ru++
• Molecular Mass: 915.936483
• Monoisotopic Mass: 916.17267495
• SMILES: [C+]#[O-].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ru+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[C+]#[O-].[Ru+2]
• InChI: InChI=1S/3C18H15P.CO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;/q;;;;+2
• InChIKey: FMYYOXXPGPTZBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion tris(triphenylphosphane) methyliumolate dihydride
• IUPAC Traditional name: λ^2-ruthenium(2+) ion tris(triphenylphosphine) methyliumolate dihydride
• Synonyms: Carbonyldihydridotris(triphenylphosphine)ruthenium(II); 羰酰二氢三(三苯基膦)钌(II)

Database IDs

• CAS Number: 25360-32-1
• MDL Number: MFCD00015870

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: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 161-163°C

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%