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

• ChemBase ID: 148471
• Molecular Formular: C10H14O4Pb
• Molecular Mass: 405.41576
• Monoisotopic Mass: 406.06586093
• SMILES: C/C(=C\C(=O)C)/O[Pb]O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C\C(=O)C)/O[Pb]O/C(=C/C(=O)C)/C
• InChI: InChI=1S/2C5H8O2.Pb/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: UNNUWSQNTAFLDC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(4-oxopent-2-en-2-yl)oxy]plumbyl}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({[(4-oxopent-2-en-2-yl)oxy]plumbyl}oxy)pent-3-en-2-one
• Synonyms: 2,4-Pentanedione lead(II) derivative; Lead(II) acetylacetonate; 2,4-戊二酮 铅(II) 衍生物; 乙酰丙酮铅(II)

Database IDs

• CAS Number: 15282-88-9
• EC Number: 239-323-9
• MDL Number: MFCD00013499
• PubChem SID: 24864870; 162242646
• PubChem CID: 53393517

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: 27.739548 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141-144 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2291
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 61-20/22-33-50/53-62
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H332-H360Df-H373-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501
• 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
• RID/ADR: UN 2291 6.1/PG 3

Product Information

• Grade: technical grade
• Linear Formula: Pb(C5H7O2)2

DETAILS

Sigma Aldrich - 401684

Packaging
5 g in glass bottle