cycloocta-1,5-diene; dibromoplatinum

• ChemBase ID: 138725
• Molecular Formular: C8H12Br2Pt
• Molecular Mass: 463.06688
• Monoisotopic Mass: 460.89536538
• SMILES: C1C=CCCC=CC1.Br[Pt]Br
• Canonical SMILES: C1CC=CCCC=C1.Br[Pt]Br
• InChI: InChI=1S/C8H12.2BrH.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
• InChIKey: HFLCCHAOKSABAA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloocta-1,5-diene; dibromoplatinum; (1Z,5Z)-cycloocta-1,5-diene; dibromoplatinum
• IUPAC Traditional name: 1,5-cyclooctadiene; dibromoplatinum; 1,5-cyclooctadiene, (Z,Z)-; dibromoplatinum
• Synonyms: Dibromo(1,5-cyclooctadiene)platinum(II); (1,5-环辛二烯)二溴化铂; (1,5-环辛二烯)二溴化铂(II)

Database IDs

• CAS Number: 12145-48-1
• MDL Number: MFCD00058724
• PubChem SID: 162232976; 24861056
• PubChem CID: 5702533

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

• Apperance: Powder

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; Pt 41.6% min
• Empirical Formula (Hill Notation): C8H12Br2Pt