1,3-dioxa-2-platinacyclopentane-4,5-dione bis(triethylphosphane) hydrate

• ChemBase ID: 150330
• Molecular Formular: C14H32O5P2Pt
• Molecular Mass: 537.426402
• Monoisotopic Mass: 537.13728838
• SMILES: CCP(CC)CC.CCP(CC)CC.C1(=O)C(=O)O[Pt]O1.O
• Canonical SMILES: O=C1O[Pt]OC1=O.CCP(CC)CC.CCP(CC)CC.O
• InChI: InChI=1S/2C6H15P.C2H2O4.H2O.Pt/c2*1-4-7(5-2)6-3;3-1(4)2(5)6;;/h2*4-6H2,1-3H3;(H,3,4)(H,5,6);1H2;/q;;;;+2/p-2
• InChIKey: DUKKINGBPAFMGJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dioxa-2-platinacyclopentane-4,5-dione bis(triethylphosphane) hydrate
• IUPAC Traditional name: 1,3-dioxa-2-platinacyclopentane-4,5-dione bis(triethylphosphine) hydrate
• Synonyms: Oxalatobis(triethylphosphine)platinum(II); 双(三乙基膦)草酸铂(II)

Database IDs

• CAS Number: 207596-31-4
• PubChem SID: 162244491
• PubChem CID: 71311463

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.91666883
• LogD (pH = 7.4): 0.979991
• Log P: 1.7648
• Molar Refractivity: 41.0508 cm^3
• Polarizability: 14.511799 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 280 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C14H30O4P2Pt · xH2O

DETAILS

Sigma Aldrich - 331422

Packaging
1 g in glass bottle
250 mg in glass bottle