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

• ChemBase ID: 141393
• Molecular Formular: C10H14O4Sn
• Molecular Mass: 316.91676
• Monoisotopic Mass: 317.99140293
• SMILES: C/C(=C\C(=O)C)/O[Sn]O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C\C(=O)C)/O[Sn]O/C(=C/C(=O)C)/C
• InChI: InChI=1S/2C5H8O2.Sn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: XDRPDDZWXGILRT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(4-oxopent-2-en-2-yl)oxy]stannyl}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({[(4-oxopent-2-en-2-yl)oxy]stannyl}oxy)pent-3-en-2-one
• Synonyms: Tin(II) acetylacetonate

Database IDs

• CAS Number: 16009-86-2
• EC Number: 240-142-2
• MDL Number: MFCD00078005
• PubChem SID: 162235627
• PubChem CID: 16687961

CALCULATED PROPERTIES

• Acid pKa: 19.127842
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2046
• LogD (pH = 7.4): 0.2046
• Log P: 0.2046
• Molar Refractivity: 54.8498 cm^3
• Polarizability: 25.168434 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110 °C/0.1 mmHg

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 99.9% trace metals basis
• Empirical Formula (Hill Notation): C10H14O4Sn

DETAILS

Sigma Aldrich - 697478

Packaging
5 g in glass bottle