beryllium(2+) ion bis(4-oxopent-2-en-2-olate)

• ChemBase ID: 106739
• Molecular Formular: C10H14BeO4
• Molecular Mass: 207.227942
• Monoisotopic Mass: 207.10139113
• SMILES: [Be+2].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Be+2]
• InChI: InChI=1S/2C5H8O2.Be/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: BBKXDHBLPBKCFR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: beryllium(2+) ion bis(4-oxopent-2-en-2-olate); beryllium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: beryllium(2+) bis(4-oxopent-2-en-2-olate); beryllium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: BERYLLIUM ACETYLACETONATE; Beryllium acetylacetonate; Beryllium 2,4-pentanedionate; 乙酰丙酮铍

Database IDs

• CAS Number: 10210-64-7
• EC Number: 233-513-5
• MDL Number: MFCD00013485
• PubChem SID: 162087702
• PubChem CID: 5486772

CALCULATED PROPERTIES

• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34448203
• LogD (pH = 7.4): 0.34309724
• Log P: 0.3444997
• Molar Refractivity: 39.1896 cm^3
• Polarizability: 10.113493 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slightly soluble in cold water. Decomposes in hot water
• Apperance: Powder
• Melting Point: 101-103°C; 108°C
• Boiling Point: 270°C
• Density: 1.168

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN1566
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 49-25-26-36/37/38-43-48/23-51/53; R:25-26-36/37/38-43-48/23-49
• Safety Statements: 53-45-61; S:45-53
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H330-H315-H319-H317-H335-H350-H372-H411
• GHS Precautionary statements: P260-P301+P310-P304+P340-P305+P351+P338-P320-P330-P405-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05201263

MP Biomedicals Rare Chemical collection