potassium oxalic acid dihydrate hydrogen oxalate

• ChemBase ID: 88374
• Molecular Formular: C4H7KO10
• Molecular Mass: 254.19068
• Monoisotopic Mass: 253.9676281
• SMILES: OC(=O)C(=O)O.O=C(C(=O)O)[O-].O.O.[K+]
• Canonical SMILES: OC(=O)C(=O)O.[O-]C(=O)C(=O)O.O.O.[K+]
• InChI: InChI=1S/2C2H2O4.K.2H2O/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);;2*1H2/q;;+1;;/p-1
• InChIKey: KPFHSTZUXXJAES-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium oxalic acid dihydrate hydrogen oxalate
• IUPAC Traditional name: potassium oxalic acid dihydrate hydrogen oxalate; potassium ion oxalic acid dihydrate hydrogen oxalate
• Synonyms: Potassium tetraoxalate dihydrate; Oxalic acid hemipotassium salt; Potassium tetroxalate dihydrate; Potassium trihydrogen dioxalate dihydrate 98+%; Potassium tetraoxalate; Potassium trihydrogen dioxalate dihydrate; 草酸 半钾盐; 四草酸钾 二水合物; 二草酸三氢钾二水合物

Database IDs

• CAS Number: 6100-20-5
• EC Number: 204-874-6
• MDL Number: MFCD00150443
• Beilstein Number: 3854419
• Merck Index: 147689
• PubChem SID: 24881924; 24881922; 24881926; 162075334
• PubChem CID: 23664780

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 14.4386 cm^3
• Polarizability: 5.8697963 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear, colorless
• pH: 1.0-2.5 (25 °C, 0.1 M in H2O)

Safety Information

• Storage Warning: Toxic/Harmful
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN3288
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 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: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (RT); ≥99.5%; ≥99.5% (RT); ≥99.8%; 98+%
• Grade: puriss. p.a.; purum
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤10 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; NH4+: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Product Line: BioUltra
• abs.: absorption0.1M/289 nm, H2O cut-off
• Linear Formula: KH3(C2O4)2 · 2H2O

DETAILS

Sigma Aldrich - 60589

Other Notes
Secondary standard buffer1

Sigma Aldrich - 24-5700

Suitability
pH standard solution