disodium oxido[3-(oxidoimino)butan-2-ylidene]amine octahydrate

• ChemBase ID: 138116
• Molecular Formular: C4H22N2Na2O10
• Molecular Mass: 304.20442
• Monoisotopic Mass: 304.10698348
• SMILES: C/C(=N\[O-])/C(=N/[O-])/C.O.O.O.O.O.O.O.O.[Na+].[Na+]
• Canonical SMILES: [O-]/N=C(/C(=N/[O-])/C)\C.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/C4H8N2O2.2Na.8H2O/c1-3(5-7)4(2)6-8;;;;;;;;;;/h7-8H,1-2H3;;;8*1H2/q;2*+1;;;;;;;;/p-2
• InChIKey: IJJDRGUPRATWQX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium oxido[3-(oxidoimino)butan-2-ylidene]amine octahydrate
• IUPAC Traditional name: disodium oxido[3-(oxidoimino)butan-2-ylidene]amine octahydrate
• Synonyms: Dimethylglyoxime disodium salt octahydrate; 二甲基乙二肟 二钠盐 八水合物

Database IDs

• CAS Number: 75006-64-3
• MDL Number: MFCD00150288
• Beilstein Number: 3776330
• PubChem SID: 162232374; 24865223
• PubChem CID: 71310106

CALCULATED PROPERTIES

• Acid pKa: 7.886533
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4126258
• LogD (pH = 7.4): 0.29240566
• Log P: 0.41445905
• Molar Refractivity: 26.9408 cm^3
• Polarizability: 10.303641 Å^3
• Polar Surface Area: 70.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble5%, clear
• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (NT); 97%
• Grade: for precipitation of metals
• Impurities: ≤0.005% water-insoluble matter; 44-48% water
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤25 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Linear Formula: CH3C(=NONa)C(=NONa)CH3 · 8H2O

DETAILS

Sigma Aldrich - D160105

Application
Reagent for nickel.
Packaging
100 g in poly bottle

Sigma Aldrich - 40400

Packaging
100, 500 g in poly bottle