tetrakis(chlororutheniumylium); tetrakis(pentamethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 141406
• Molecular Formular: C40H60Cl4Ru4
• Molecular Mass: 1086.9964
• Monoisotopic Mass: 1087.96230864
• SMILES: [Ru+]Cl.[Ru+]Cl.[Ru+]Cl.[Ru+]Cl.CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Ru+]Cl.[Ru+]Cl.[Ru+]Cl.[Ru+]Cl
• InChI: InChI=1S/4C10H15.4ClH.4Ru/c4*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;/h4*1-5H3;4*1H;;;;/q4*-1;;;;;4*+2/p-4
• InChIKey: BCYJCIIJQVNGGB-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(chlororutheniumylium); tetrakis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: tetrakis(chlororutheniumylium); tetrakis(pentamethylcyclopenta-2,4-dien-1-ide)
• Synonyms: Tetrachlorotetrakis(pentamethylcyclopentadienyl)tetraruthenium; Chloro(pentamethylcyclopentadienyl)ruthenium(II) tetramer; 氯代(五甲基环戊二烯基)钌(II)四聚体

Database IDs

• CAS Number: 113860-07-4
• PubChem SID: 162235640; 24884854
• PubChem CID: 71310627

CALCULATED PROPERTIES

• Acid pKa: 16.574366
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7594643
• LogD (pH = 7.4): 2.7594643
• Log P: 4.3233
• Molar Refractivity: 46.921 cm^3
• Polarizability: 17.660542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 276-278 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

• Empirical Formula (Hill Notation): C40H60Ru4Cl4

DETAILS

Sigma Aldrich - 676500

Packaging
2 g in glass bottle
500 mg in glass bottle