cycloocta-1,5-diene; dichloropalladium

• ChemBase ID: 148102
• Molecular Formular: C8H12Cl2Pd
• Molecular Mass: 285.50688
• Monoisotopic Mass: 283.93509174
• SMILES: C1C=CCCC=CC1.Cl[Pd]Cl
• Canonical SMILES: C1CC=CCCC=C1.Cl[Pd]Cl
• InChI: InChI=1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
• InChIKey: RRHPTXZOMDSKRS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloocta-1,5-diene; dichloropalladium; (1Z,5Z)-cycloocta-1,5-diene; dichloropalladium
• IUPAC Traditional name: 1,5-cyclooctadiene; palladium chloride; 1,5-cyclooctadiene, (Z,Z)-; palladium chloride
• Synonyms: PdCl2(cod); Dichloro(1,5-cyclooctadiene)palladium(II); (1,5-环辛二烯)二氯化钯(II); (1,5-环辛二烯)氯化钯(II)

Database IDs

• CAS Number: 12107-56-1
• EC Number: 235-161-8
• MDL Number: MFCD00012412
• PubChem SID: 162242279; 24856679
• PubChem CID: 5702536

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• Molar Refractivity: 39.0412 cm^3
• Polarizability: 14.319889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in dichloromethane
• Apperance: Crystalline
• Melting Point: 210 °C (dec.)(lit.)

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 是
• 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

• Purity: 99%; Pd 36.7%
• Empirical Formula (Hill Notation): C8H12Cl2Pd

DETAILS

Sigma Aldrich - 275891

Application
Catalyst for C-C bond and C-N formation, used in Heck coupling of alkynes with alkenes , Suzuki cross-coupling of aryl bromides , allylic substitution of oximes with allylic acetate , and methoxycarbonylation of iodobenzene.
Packaging
2 g in glass bottle