(1Z,5Z)-cycloocta-1,5-diene; dibromopalladium

• ChemBase ID: 295080
• Molecular Formular: C8H12Br2Pd
• Molecular Mass: 374.40888
• Monoisotopic Mass: 371.83406038
• SMILES: C1C=CCCC=CC1.[Pd](Br)Br
• Canonical SMILES: C1CC=CCCC=C1.Br[Pd]Br
• InChI: InChI=1S/C8H12.2BrH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-
• InChIKey: VDWGPWKGFNEZFD-PHFPKPIQSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z,5Z)-cycloocta-1,5-diene; dibromopalladium
• IUPAC Traditional name: 1,5-cyclooctadiene, (Z,Z)-; dibromopalladium
• Synonyms: PdBr2(cod); Dibromo(1,5-cyclooctadiene)palladium(II)

Database IDs

• CAS Number: 12145-47-0
• MDL Number: MFCD00799635
• PubChem SID: 180680611
• PubChem CID: 11187970

CALCULATED PROPERTIES

• Polarizability: 14.319889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 201-205°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: Pd 28.4%