disodium diazenebis(olate) hydrate

• ChemBase ID: 146625
• Molecular Formular: H2N2Na2O3
• Molecular Mass: 124.00702
• Monoisotopic Mass: 123.9860805
• SMILES: N(=N\[O-])/[O-].O.[Na+].[Na+]
• Canonical SMILES: [O-]/N=N/[O-].O.[Na+].[Na+]
• InChI: InChI=1S/H2N2O2.2Na.H2O/c3-1-2-4;;;/h(H,1,4)(H,2,3);;;1H2/q;2*+1;/p-2
• InChIKey: MNTPJDLNJKAOKU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium diazenebis(olate) hydrate
• IUPAC Traditional name: disodium hyponitrite(2-) hydrate
• Synonyms: Sodium trans-hyponitrite hydrate; 反-次亚硝酸钠 水合物

Database IDs

• CAS Number: 60884-94-8
• MDL Number: MFCD00674053
• PubChem SID: 24869787; 162240819
• PubChem CID: 16213027

CALCULATED PROPERTIES

• Acid pKa: 11.72469
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6095067
• LogD (pH = 7.4): 0.6094865
• Log P: 0.609507
• Molar Refractivity: 12.3142 cm^3
• Polarizability: 3.473442 Å^3
• Polar Surface Area: 70.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: Na2N2O2 · xH2O

DETAILS

Sigma Aldrich - 460990

Packaging
2 g in glass bottle
Application
Precursor to tert-butyl hyponitrite which was employed in the low-temperature thermal generation of tert-butoxy radicals.1