λ2-ruthenium(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 140666
• Molecular Formular: C14H18Ru
• Molecular Mass: 287.36272
• Monoisotopic Mass: 288.04519958
• SMILES: CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[Ru+2]
• Canonical SMILES: CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[Ru+2]
• InChI: InChI=1S/2C7H9.Ru/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2
• InChIKey: OXJUCLBTTSNHOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: λ^2-ruthenium(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
• Synonyms: Diethylruthenocene; Bis(ethylcyclopentadienyl)ruthenium(II); 二乙基二茂钌; 双(乙基环戊二烯)钌(II)

Database IDs

• CAS Number: 32992-96-4
• MDL Number: MFCD03427334
• PubChem SID: 162234907; 24885515; 24883596
• PubChem CID: 71310486

CALCULATED PROPERTIES

• Acid pKa: 16.09564
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.18693
• LogD (pH = 7.4): 2.18693
• Log P: 3.1115
• Molar Refractivity: 31.3572 cm^3
• Polarizability: 12.389141 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: 6 °C(lit.)
• Boiling Point: 100 °C/0.01 mmHg(lit.)
• Flash Point: >199.4 °F; >93 °C
• Density: 1.3412 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5870(lit.)

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C

Product Information

• Linear Formula: C7H9RuC7H9

DETAILS

Sigma Aldrich - 679798

Frequently Asked Questions
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General description
Atomic number of base material: 44 Ruthenium
Packaging
10 g in ss cylinder
Protocols & Applications
Precursors Packaged for Depositions Systems

Sigma Aldrich - 648663

Packaging
2 g in ampule