tin(2+) ion oxalate

• ChemBase ID: 111321
• Molecular Formular: C2O4Sn
• Molecular Mass: 206.72
• Monoisotopic Mass: 207.88185248
• SMILES: [Sn+2].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[Sn+2]
• InChI: InChI=1S/C2H2O4.Sn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
• InChIKey: OQBLGYCUQGDOOR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: tin(2+) ion oxalate; λ^2-tin(2+) ion oxalate
• IUPAC Traditional name: tin, ion (sn2+) oxalate ion; λ^2-tin(2+) ion oxalate
• Synonyms: STANNOUS OXALATE; Ethanedioic Acid Tin(2+) Salt; Oxalic Acid Tin(2+) Salt; Tin Oxalate (SnC2O4); Fascat 2001; Stannous Oxalate; Tin(2+) Oxalate; Tin(II) Oxalate; Tin(II) oxalate; 草酸锡(II)

Database IDs

• CAS Number: 814-94-8; 17480-26-1
• EC Number: 212-414-0
• MDL Number: MFCD00040678
• Beilstein Number: 3708588
• Merck Index: 148786
• PubChem SID: 162089683
• PubChem CID: 13149

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in dilute HCl. Insoluble in water
• Apperance: Powder; White Solid
• Melting Point: >300°C (dec.); 280°C dec.
• Density: 3.56

Safety Information

• Storage Condition: Refrigerator
• RTECS: XQ3950000
• European Hazard Symbols: X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05218618

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - T444090

Tin(II) Oxalate is used in stannous oral care compositions.

REFERENCES

• Surerus, K., et al.: Biochemistry, 1994, 33, 4980 (1994)