4-(argentiooxy)pent-3-en-2-one

• ChemBase ID: 149357
• Molecular Formular: C5H7AgO2
• Molecular Mass: 206.97608
• Monoisotopic Mass: 205.94970146
• SMILES: C/C(=C\C(=O)C)/O[Ag]
• Canonical SMILES: C/C(=C\C(=O)C)/O[Ag]
• InChI: InChI=1S/C5H8O2.Ag/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1
• InChIKey: CHACQUSVOVNARW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(argentiooxy)pent-3-en-2-one
• IUPAC Traditional name: 4-(argentiooxy)pent-3-en-2-one
• Synonyms: Ag(acac); 2,4-Pentanedione silver derivative; Silver acetylacetonate; 2,4-戊二酮 银衍生物; 乙酰丙酮银

Database IDs

• CAS Number: 15525-64-1
• EC Number: 239-568-1
• MDL Number: MFCD00000012
• PubChem SID: 24859369; 162243524
• PubChem CID: 71311408

CALCULATED PROPERTIES

• Acid pKa: 19.455778
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2323
• LogD (pH = 7.4): 0.2323
• Log P: 0.2323
• Molar Refractivity: 27.4249 cm^3
• Polarizability: 14.909019 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 100 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-40
• Safety Statements: 26-36/37/39-37/39
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: [CH3COCH=C(O-)CH3]Ag

DETAILS

Sigma Aldrich - 323489

Packaging
1, 5 g in glass bottle