dilithium(1+) ion oxalate

• ChemBase ID: 130581
• Molecular Formular: C2Li2O4
• Molecular Mass: 101.901
• Monoisotopic Mass: 102.01166758
• SMILES: [Li+].[Li+].C(=O)(C(=O)[O-])[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[Li+].[Li+]
• InChI: InChI=1S/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
• InChIKey: YNQRWVCLAIUHHI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion oxalate
• IUPAC Traditional name: dilithium(1+) ion oxalate
• Synonyms: Oxalic acid dilithium salt; Lithium oxalate; 乙二酸; 草酸 二锂盐; 草酸锂

Database IDs

• CAS Number: 553-91-3
• EC Number: 209-054-1
• MDL Number: MFCD00040596
• Merck Index: 145537
• PubChem SID: 162224859; 24897922
• PubChem CID: 68383

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 water
• Apperance: Powder
• Melting Point: dec.
• Density: 2.12

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1759; UN3288
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 2; III
• Risk Statements: 21/22
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280; P280-P302+P352-P322-P301+P312-P312-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: 99+%

DETAILS

Sigma Aldrich - O0130

包装
500 g in poly bottle