4-({[(4-oxopent-2-en-2-yl)oxy]platinio}oxy)pent-3-en-2-one

• ChemBase ID: 146335
• Molecular Formular: C10H14O4Pt
• Molecular Mass: 393.29376
• Monoisotopic Mass: 393.05399993
• SMILES: C/C(=C\C(=O)C)/O[Pt]O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C\C(=O)C)/O[Pt]O/C(=C/C(=O)C)/C
• InChI: InChI=1S/2C5H8O2.Pt/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: KLFRPGNCEJNEKU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(4-oxopent-2-en-2-yl)oxy]platinio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({[(4-oxopent-2-en-2-yl)oxy]platinio}oxy)pent-3-en-2-one
• Synonyms: Pt(acac)2; 2,4-Pentanedione platinum(II) derivative; Platinum(II) acetylacetonate; 2,4-戊二酮 铂(II) 衍生物; 乙酰丙酮铂(II)

Database IDs

• CAS Number: 15170-57-7
• EC Number: 239-223-5
• MDL Number: MFCD00000028
• Beilstein Number: 4136189
• PubChem SID: 24887635; 24874292; 162240533; 24857069
• PubChem CID: 71311212

CALCULATED PROPERTIES

• Acid pKa: 19.13614
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7346
• LogD (pH = 7.4): 0.7346
• Log P: 0.7346
• Molar Refractivity: 54.8498 cm^3
• Polarizability: 27.412794 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 249-252 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 63-20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332-H315-H319-H335-H361
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: 97%; 99.99% trace metals basis
• Grade: purum
• Linear Formula: Pt(C5H7O2)2

DETAILS

Sigma Aldrich - 523038

Packaging
1 g in glass bottle
Protocols & Applications
Chemical Synthesis of Monodisperse Magnetic Nanoparticles

Sigma Aldrich - 282782

Application
Pre-cursor for nano-materials.1,2
Used with disodium iron tetracarbonyl to form FePt superlattice magnetic nanoparticles in high-boiling hydrocarbon solvents.
Packaging
5 g in glass bottle
500 mg in glass bottle