barium(2+) ion oxalate

• ChemBase ID: 107811
• Molecular Formular: C2BaO4
• Molecular Mass: 225.346
• Monoisotopic Mass: 225.88490548
• SMILES: [Ba+2].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[Ba+2]
• InChI: InChI=1S/C2H2O4.Ba/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
• InChIKey: GXUARMXARIJAFV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion oxalate
• IUPAC Traditional name: barium(2+) ion oxalate; barium(2+) oxalate ion
• Synonyms: Barium oxalate, Puratronic®; BARIUM OXALATE; 草酸钡, Puratronic®

Database IDs

• CAS Number: 516-02-9
• EC Number: 208-216-9
• MDL Number: MFCD00054429
• Merck Index: 14985
• PubChem SID: 162093784
• PubChem CID: 68201
• Chemspider ID: 61508
• Wikipedia Title: Barium_oxalate

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: 9.290e-3 g/100mL in water
• Apperance: Powder
• Melting Point: 400 °C (decomp)
• Density: 2.658 g/cm^3

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN1564
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 20/21/22; R:20/22
• Safety Statements: 24/25-28; S:28
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 99.999% (metals basis)

DETAILS

MP Biomedicals - 05205094

MP Biomedicals Rare Chemical collection