chlororutheniumylium; cycloocta-1,5-diene; pentamethylcyclopenta-2,4-dien-1-ide

• ChemBase ID: 141444
• Molecular Formular: C18H27ClRu
• Molecular Mass: 379.92998
• Monoisotopic Mass: 380.08447754
• SMILES: C1C=CCCC=CC1.Cl[Ru+].CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C1CC=CCCC=C1.C[C-]1C(=C(C(=C1C)C)C)C.[Ru+]Cl
• InChI: InChI=1S/C10H15.C8H12.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;;/h1-5H3;1-2,7-8H,3-6H2;1H;/q-1;;;+2/p-1
• InChIKey: PYZSVABUSHLGGV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlororutheniumylium; cycloocta-1,5-diene; pentamethylcyclopenta-2,4-dien-1-ide
• IUPAC Traditional name: 1,5-cyclooctadiene; chlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide
• Synonyms: Pentamethylcyclopentadienyl(1,5-cyclooctadiene)ruthenium(II) chloride; RuCl(cod)Cp*; Chloro(1,5-cyclooctadiene)(pentamethylcyclopentadienyl)ruthenium(II); 1,5-Cyclooctadiene, ruthenium complex; Chloro(1,5-cyclooctadiene)(η5-pentamethylcyclopentadienyl)ruthenium; Chloro(1,5-cyclooctadiene)(pentamethylcyclopentadienyl)ruthenium; Cp*RuCl(cod); Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II); 氯(五甲基环戊二烯基)(环辛二烯)钌(II)

Database IDs

• CAS Number: 92390-26-6
• MDL Number: MFCD07369035
• PubChem SID: 24884896; 162235678
• PubChem CID: 71310632

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: true

PROPERTIES

Physical Property

• Apperance: Crystalline solid
• Melting Point: 143-147 °C; 143-147°C

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 3395; UN3395
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2; II
• Risk Statements: 14/15; 15
• Safety Statements: 43; 7/8-33-43-60
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H260; H261
• GHS Precautionary statements: P231 + P232-P422; P231+P232-P280-P233-P370+P378-P402+P404-P501
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3395 4.3/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: Ru 26.6%
• Empirical Formula (Hill Notation): C18H27ClRu

DETAILS

Sigma Aldrich - 667234

Application
A homogeneous catalyst for the formation of carbon-carbon and carbon-heteroatom bonds.
Packaging
1 g in glass bottle
250 mg in glass bottle