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

• ChemBase ID: 303752
• Molecular Formular: C8H12I2Pt
• Molecular Mass: 557.06782
• Monoisotopic Mass: 556.86763738
• SMILES: C1C=CCCC=CC1.[Pt](I)I
• Canonical SMILES: C1CC=CCCC=C1.I[Pt]I
• InChI: InChI=1S/C8H12.2HI.Pt/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: SGSFNZOKVYTGRR-PHFPKPIQSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z,5Z)-cycloocta-1,5-diene; diiodoplatinum
• IUPAC Traditional name: 1,5-cyclooctadiene, (Z,Z)-; diiodoplatinum
• Synonyms: (1,5-Cyclooctadiene)diiodoplatinum(II); (1,5-环辛二烯)二碘铂(II)

Database IDs

• CAS Number: 12266-72-7
• EC Number: 235-538-7
• MDL Number: MFCD00050491

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: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A