oxalic acid diamine hydrate

• ChemBase ID: 105575
• Molecular Formular: C2H10N2O5
• Molecular Mass: 142.1112
• Monoisotopic Mass: 142.05897143
• SMILES: N.N.O.OC(=O)C(=O)O
• Canonical SMILES: OC(=O)C(=O)O.N.N.O
• InChI: InChI=1S/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2
• InChIKey: MSMNVXKYCPHLLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxalic acid diamine hydrate
• IUPAC Traditional name: oxalic acid diamine hydrate
• Synonyms: Oxalic acid diammonium salt; Ammonium oxalate monohydrate; Ethanedioic Acid Monohydrate; AMMONIUM OXALATE MONOHYDRATE ACS REAGENT GRADE; 草酸 二铵盐; 草酸铵 一水合物

Database IDs

• CAS Number: 6009-70-7
• EC Number: 238-135-4
• MDL Number: MFCD00149694
• Beilstein Number: 3759830
• PubChem SID: 162092148; 24859355; 24846490; 24853257; 24863684; 24855347
• PubChem CID: 62600

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: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear, colorless
• Apperance: powder
• Melting Point: 132°C; 133 °C (dec.)(lit.)
• Density: 1.5 g/ml
• pH: 6.0-7.0 (2.5% in H2O, hot); 6.0-7.0 (25 °C, 0.1 M in H2O); 6-7 (20 °C, 2.5%)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Corrosive (C); Toxic (T); Harmful (Xn)
• UN Number: 1759; 2811
• German water hazard class: 1
• Hazard Class: 6.1; 8
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 21/22; R:22-34
• Safety Statements: 24/25; S:26-27/28-36/37/39-46-64
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1759 8/PG 3

Product Information

• Purity: ≥98.0% (RT); ≥99%; ≥99.0% (RT); ≥99.5%; ≥99.5% (RT); ≥99.99% trace metals basis; 99.0-101.0%; 99.0-101.0% (ACS specification); 99.5-101.0%
• Grade: ACS; ACS reagent; ACS reagent, reag. ISO, reag. Ph. Eur.; JIS special grade; puriss.; puriss. p.a.; purum p.a.; REAGENT
• Ignition Residue: ≤0.02%; ≤0.02% (as SO4)
• Impurities: ≤0.002% heavy metals (as Pb); ≤0.005% in water insoluble matters; ≤0.005% insolubles; insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤20 mg/kg; Ca: ≤200 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤2 mg/kg; Fe: ≤2 ppm; Fe: ≤20 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤10 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤10 mg/kg; Mg: ≤20 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤10 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤10 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.002%; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; nitrate (NO3-): ≤5 mg/kg; sulfate (SO42-): ≤0.002%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.02% loss on ignition
• Product Line: BioUltra
• abs.: absorption0.1M/267 nm, H2O cut-off
• Linear Formula: (NH4)2C2O4 · H2O

DETAILS

MP Biomedicals - 02191408

Monohydrate
ACS Reagent Grade
Assay: 99.0-101.0%
Crystalline

Sigma Aldrich - 379743

Other Notes
Hydration may vary slightly
Packaging
5, 25 g in poly bottle

Sigma Aldrich - 09898

Other Notes
Complexes with Cu, thus inhibits spinach chloroplast phenolase1
Application
Ammonium oxalate monohydrate can be used to study chelators, biological buffers and biochemicals and reagents. Ammonium oxalate monohydrate has been used in an analysis of the effective segregation coefficient keff of different impurities, which suggested that the dehydration energies of cations mainly determine the capability of capture of impurity species by the growing crystal.

Sigma Aldrich - 221716

Packaging
100, 500 g in poly bottle
2.5 kg in poly drum