cycloocta-1,5-diene; trimethyl({[(trimethylsilyl)methyl]palladio}methyl)silane

• ChemBase ID: 143394
• Molecular Formular: C16H34PdSi2
• Molecular Mass: 389.03216
• Monoisotopic Mass: 388.12339015
• SMILES: C[Si](C[Pd]C[Si](C)(C)C)(C)C.C1C=CCCC=CC1
• Canonical SMILES: C1CC=CCCC=C1.C[Si](C[Pd]C[Si](C)(C)C)(C)C
• InChI: InChI=1S/C8H12.2C4H11Si.Pd/c1-2-4-6-8-7-5-3-1;2*1-5(2,3)4;/h1-2,7-8H,3-6H2;2*1H2,2-4H3
• InChIKey: OOUJKOJUEUVIOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloocta-1,5-diene; trimethyl({[(trimethylsilyl)methyl]palladio}methyl)silane
• IUPAC Traditional name: 1,5-cyclooctadiene; trimethyl({[(trimethylsilyl)methyl]palladio}methyl)silane
• Synonyms: (1,5-Cyclooctadiene)bis(trimethylsilylmethyl)palladium(II); (1,5-环辛二烯)双(三甲基硅基甲基)钯(II)

Database IDs

• CAS Number: 225931-80-6
• PubChem SID: 162237614
• PubChem CID: 71310948

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6222
• LogD (pH = 7.4): 4.6222
• Log P: 4.6222
• Molar Refractivity: 41.9392 cm^3
• Polarizability: 25.750889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-62 °C
• Flash Point: 32 °C; 89.6 °F

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 11-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 1325 4.1/PG 3
• Storage Temperature: -20°C

Product Information

• Shipped in: dry ice
• Empirical Formula (Hill Notation): C16H34PdSi2

DETAILS

Sigma Aldrich - 719986

Packaging
250 mg in glass bottle