chlororutheniumylium; cyclopenta-2,4-dien-1-ide; bis(triphenylphosphane)

• ChemBase ID: 147584
• Molecular Formular: C41H35ClP2Ru
• Molecular Mass: 726.187122
• Monoisotopic Mass: 726.09460106
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C1=C[CH-]C=C1.Cl[Ru+]
• Canonical SMILES: [CH-]1C=CC=C1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Ru+]
• InChI: InChI=1S/2C18H15P.C5H5.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h2*1-15H;1-5H;1H;/q;;-1;;+2/p-1
• InChIKey: QHMOWPJARYQHOB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlororutheniumylium; cyclopenta-2,4-dien-1-ide; bis(triphenylphosphane)
• IUPAC Traditional name: chlororutheniumylium; cyclopentadienide; bis(triphenylphosphine)
• Synonyms: Bis(triphenylphosphine)(chloro)cyclopentadienylruthenium; Bis(triphenylphosphine)cyclopentadienylruthenium chloride; Cyclopentadienylbis(triphenylphosphine)ruthenium chloride; Chlorocyclopentadienylbis(triphenylphosphine)ruthenium(II); 二(三苯基膦)环戊二烯基氯化钌(II)

Database IDs

• CAS Number: 32993-05-8
• MDL Number: MFCD00075004
• PubChem SID: 24860106; 162241771
• PubChem CID: 71311281

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: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 135 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C41H35ClP2Ru

DETAILS

Sigma Aldrich - 333158

Packaging
1 g in glass bottle