tetrapotassium tris[(carboxylatocarbonyl)oxy]hafnio oxalate

• ChemBase ID: 152893
• Molecular Formular: C8HfK4O16
• Molecular Mass: 686.9592
• Monoisotopic Mass: 687.72001064
• SMILES: C(=O)(C(=O)O[Hf](OC(=O)C(=O)[O-])(OC(=O)C(=O)[O-])OC(=O)C(=O)[O-])[O-].[K+].[K+].[K+].[K+]
• Canonical SMILES: O=C(C(=O)[O-])O[Hf](OC(=O)C(=O)[O-])(OC(=O)C(=O)[O-])OC(=O)C(=O)[O-].[K+].[K+].[K+].[K+]
• InChI: InChI=1S/4C2H2O4.Hf.4K/c4*3-1(4)2(5)6;;;;;/h4*(H,3,4)(H,5,6);;;;;/q;;;;+4;4*+1/p-8
• InChIKey: WXJBTSXHNBWBSP-UHFFFAOYSA-F

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium tris[(carboxylatocarbonyl)oxy]hafnio oxalate
• IUPAC Traditional name: tetrapotassium tris[(carboxylatocarbonyl)oxy]hafnio oxalate
• Synonyms: Potassium tetraoxalatohafnate(IV); 四氧醛酸根铪酸钾

Database IDs

• CAS Number: 12081-84-4
• MDL Number: MFCD04039940
• PubChem SID: 162247036; 24880798
• PubChem CID: 16217302

CALCULATED PROPERTIES

• Acid pKa: 0.6482085
• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): -11.922789
• LogD (pH = 7.4): -12.435302
• Log P: 2.2808
• Molar Refractivity: 97.3924 cm^3
• Polarizability: 29.731934 Å^3
• Polar Surface Area: 265.72 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: K4Hf[C2O4]4

DETAILS

Sigma Aldrich - 575305

Packaging
5 g in poly bottle