cycloocta-1,5-diene; dichloroplatinum

• ChemBase ID: 126981
• Molecular Formular: C8H12Cl2Pt
• Molecular Mass: 374.16488
• Monoisotopic Mass: 372.99639674
• SMILES: Cl[Pt]Cl.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.Cl[Pt]Cl
• InChI: InChI=1S/C8H12.2ClH.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
• InChIKey: VVAOPCKKNIUEEU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloocta-1,5-diene; dichloroplatinum; (1Z,5Z)-cycloocta-1,5-diene; dichloroplatinum
• IUPAC Traditional name: 1,5-cyclooctadiene; platinum(II) chloride; 1,5-cyclooctadiene, (Z,Z)-; platinum(II) chloride
• Synonyms: Dichloro(cycloocta-1,5-diene)platinum(II); (1,5-Cyclooctadiene)platinum dichloride; (1,5-Cyclooctadiene)platinum(II) dichloride; 1,5-Cyclooctadienedichloroplatinum; NSC 239486; Pt(COD)Cl2; Dichloro(1,5-cyclooctadiene)platinum(II); (1,5-环辛二烯)二氯化铂(II)

Database IDs

• CAS Number: 12080-32-9
• EC Number: 235-144-5
• MDL Number: MFCD00012413
• PubChem SID: 162221304; 24854718
• PubChem CID: 5702648
• Chemspider ID: 4642949
• Wikipedia Title: Dichloro(cycloocta-1,5-diene)platinum(II)

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: Solid
• Melting Point: 250°C dec.; 285 °C (dec.)(lit.); 285°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26-37; 26-37/39; S26-S37/39
• TSCA Listed: 是
• 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: Pt 51.6-52.6%
• Empirical Formula (Hill Notation): C8H12Cl2Pt

DETAILS

Sigma Aldrich - 244937

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst for:
• Hydrogenative cyclization of allenynes1
• Stereoselective tandem hydrosilylation-Hiyama coupling reactions2
• Amino alkene cyclohydroamination3
• Hydrative cyclization reactions4
• Direct amination of allylic alcohols under mild conditions5
• Potential anticancer agent6