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

• ChemBase ID: 111671
• Molecular Formular: C10H14CdO4
• Molecular Mass: 310.62676
• Monoisotopic Mass: 311.99256693
• SMILES: [Cd+2].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.[Cd+2]
• InChI: InChI=1S/2C5H8O2.Cd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: JXULEGTWCQDLTM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion bis(4-oxopent-2-en-2-olate); cadmium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: cadmium(2+) bis(4-oxopent-2-en-2-olate); cadmium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: CADMIUM ACETYLACETONATE; Cadmium acetylacetonate; Cadmium 2,4-pentanedionate; 乙酰丙酮镉

Database IDs

• CAS Number: 14689-45-3
• EC Number: 238-730-9
• MDL Number: MFCD00040412
• PubChem SID: 162097197
• PubChem CID: 12163533

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

• Apperance: Powder
• Melting Point: dec.

Safety Information

• RTECS: EV0260000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: UN2570
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-50/53; R:20/21/22-50/53
• Safety Statements: 60-61; S:60-61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H400-H410-H302-H312-H332
• GHS Precautionary statements: P261-P280-P302+P352-P304+P340-P322-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05220333

MP Biomedicals Rare Chemical collection