tetrapotassium tris[(carboxylatocarbonyl)oxy]zirconio oxalate

• ChemBase ID: 152895
• Molecular Formular: C8K4O16Zr
• Molecular Mass: 599.6932
• Monoisotopic Mass: 597.67816464
• SMILES: C(=O)(C(=O)O[Zr](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[Zr](OC(=O)C(=O)[O-])(OC(=O)C(=O)[O-])OC(=O)C(=O)[O-].[K+].[K+].[K+].[K+]
• InChI: InChI=1S/4C2H2O4.4K.Zr/c4*3-1(4)2(5)6;;;;;/h4*(H,3,4)(H,5,6);;;;;/q;;;;4*+1;+4/p-8
• InChIKey: DHGRHVCTETYPKJ-UHFFFAOYSA-F

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium tris[(carboxylatocarbonyl)oxy]zirconio oxalate
• IUPAC Traditional name: tetrapotassium tris[(carboxylatocarbonyl)oxy]zirconio oxalate
• Synonyms: Potassium tetraoxalatozirconate(IV); 四氧醛酸根锆(IV)酸钾

Database IDs

• CAS Number: 12083-35-1
• MDL Number: MFCD04039938
• PubChem SID: 24880796; 162247038
• PubChem CID: 16217300

CALCULATED PROPERTIES

• Acid pKa: 0.6705885
• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): -11.887635
• LogD (pH = 7.4): -12.434628
• Log P: 2.2808
• Molar Refractivity: 97.3924 cm^3
• Polarizability: 26.96216 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: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: K4Zr[C2O4]4

DETAILS

Sigma Aldrich - 575283

Packaging
5, 25 g in poly bottle