sodium (15N,18O2)nitrite

• ChemBase ID: 136537
• Molecular Formular: NNaO2
• Molecular Mass: 73.9882009
• Monoisotopic Mass: 73.98820018
• SMILES: [15N](=[18O])[18O-].[Na+]
• Canonical SMILES: [18O-][15N]=[18O].[Na+]
• InChI: InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1/i1+1,2+2,3+2
• InChIKey: LPXPTNMVRIOKMN-SORTUTTKSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (^1^5N,^1^8O₂)nitrite
• IUPAC Traditional name: sodium (^1^5N,^1^8O₂)nitrite
• Synonyms: Sodium nitrite-15N,18O2

Database IDs

• MDL Number: MFCD19687035
• PubChem SID: 162230807
• PubChem CID: 71309900

CALCULATED PROPERTIES

• Acid pKa: 3.3200002
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8028829
• LogD (pH = 7.4): -2.2017875
• Log P: 0.16613764
• Molar Refractivity: 7.6 cm^3
• Polarizability: 2.4691868 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 271 °C(lit.)
• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Nature polluting (N); Oxidising (O); Toxic (T)
• German water hazard class: 2
• Risk Statements: 8-25-50
• Safety Statements: 45-61
• GHS Pictograms: GHS03; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H301-H400
• GHS Precautionary statements: P220-P273-P301 + P310

Product Information

• Purity: 95% (CP)
• Isotopic Purity: 90 atom % 18O; 98 atom % 15N
• Mol. Weight: mol wt 73.57 by atom % calculation
• Empirical Formula (Hill Notation): Na15N18O2

DETAILS

Sigma Aldrich - 738832

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.