(15N,18O3)nitric acid

• ChemBase ID: 146629
• Molecular Formular: HNO3
• Molecular Mass: 70.0055319
• Monoisotopic Mass: 70.00541693
• SMILES: [15N+](=[18O])([18OH])[18O-]
• Canonical SMILES: [18O-][15N+](=[18O])[18OH]
• InChI: InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)/i1+1,2+2,3+2,4+2
• InChIKey: GRYLNZFGIOXLOG-CBRZUAGUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^5N,^1^8O₃)nitric acid
• IUPAC Traditional name: (^1^5N,^1^8O₃)nitric acid
• Synonyms: Nitric-15N acid-18O3 solution; 硝酸-15N, 18O3 溶液

Database IDs

• CAS Number: 342394-85-8
• MDL Number: MFCD00190576
• PubChem SID: 24872802; 162240823
• PubChem CID: 16213595

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 10.473 cm^3
• Polarizability: 3.677472 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120.5 °C
• Density: 1.556 g/mL at 25 °C
• Refractive Index: n20/D 1.402
• Mass Shift: M+7

Safety Information

• European Hazard Symbols: Oxidising (O); Toxic (T)
• UN Number: 2031
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 8-14-23/24/25-34
• Safety Statements: 17-26-27-36/37/39-45
• RID/ADR: UN 2031 8/PG 2

Product Information

• Concentration: ~10 N in H218O
• Isotopic Purity: 95 atom % 18O; 98 atom % 15N
• Mol. Weight: mol wt 70.01 by atom % calculation
• Linear Formula: H15N18O3

DETAILS

Sigma Aldrich - 493104

Packaging
500 mg in ampule
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.