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

• ChemBase ID: 149159
• Molecular Formular: C10H18Pt
• Molecular Mass: 333.32792
• Monoisotopic Mass: 333.10564158
• SMILES: C[Pt]C.C1C=CCCC=CC1
• Canonical SMILES: C1CC=CCCC=C1.C[Pt]C
• InChI: InChI=1S/C8H12.2CH3.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H3
• InChIKey: ZABVBYGUHBRHFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z,5Z)-cycloocta-1,5-diene; dimethylplatinum; cycloocta-1,5-diene; dimethylplatinum
• IUPAC Traditional name: 1,5-cyclooctadiene, (Z,Z)-; dimethylplatinum; 1,5-cyclooctadiene; dimethylplatinum
• Synonyms: Dimethyl(cyclooctadiene)platinum; Pt(cod)(Me)2; (1,5-Cyclooctadiene)dimethylplatinum(II); (1,5-环辛二烯)二甲基铂(II)

Database IDs

• CAS Number: 12266-92-1
• MDL Number: MFCD00064719
• PubChem SID: 162243327; 24865617
• PubChem CID: 10882173

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
• Melting Point: 103-105 °C(lit.); 103-105°C

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/37/38-42
• Safety Statements: 22-26-36/37-45; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H334-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P285-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; Pt 58.5%
• Empirical Formula (Hill Notation): C10H18Pt

DETAILS

Sigma Aldrich - 409049

Packaging
1 g in glass bottle
250 mg in glass bottle