dibutylstannanebis(ylium) bis((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 295902
• Molecular Formular: C18H32O4Sn
• Molecular Mass: 431.14528
• Monoisotopic Mass: 432.1322535
• SMILES: CCCC[Sn+2]CCCC.C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.CCCC[Sn+2]CCCC
• InChI: InChI=1S/2C5H8O2.2C4H9.Sn/c2*1-4(6)3-5(2)7;2*1-3-4-2;/h2*3,6H,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-
• InChIKey: UVDDHYAAWVNATK-VGKOASNMSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylstannanebis(ylium) bis((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: dibutylstannanebis(ylium) bis((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: Di-n-butyltin bis(2,4-pentanedionate); 二正丁基双(乙酰丙酮基)锡

Database IDs

• CAS Number: 22673-19-4
• EC Number: 245-152-0
• MDL Number: MFCD00077994
• PubChem SID: 180681433
• PubChem CID: 21989186

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1858
• LogD (pH = 7.4): 2.1858
• Log P: 2.1858
• Molar Refractivity: 38.9438 cm^3
• Polarizability: 20.164452 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5150

Safety Information

• European Hazard Symbols: X
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H331-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 95%