• ChemBase ID: 135269
• Molecular Formular: N2O4
• Molecular Mass: 93.9978178
• Monoisotopic Mass: 93.97987628
• SMILES: [15N+](=O)([15N+](=O)[O-])[O-]
• Canonical SMILES: [O-][15N+](=O)[15N+](=O)[O-]
• InChI: InChI=1S/N2O4/c3-1(4)2(5)6/i1+1,2+1
• InChIKey: WFPZPJSADLPSON-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Nitrogen-15N dioxide; 二氧化氮-15N

Database IDs

• CAS Number: 68808-52-6
• MDL Number: MFCD00084233
• PubChem SID: 162229544; 24881998
• PubChem CID: 16217570

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3354728
• LogD (pH = 7.4): 3.3354728
• Log P: 3.3354728
• Molar Refractivity: 12.78 cm^3
• Polarizability: 4.8444605 Å^3
• Polar Surface Area: 91.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: gas
• Melting Point: -11 °C(lit.)
• Boiling Point: 21 °C(lit.)
• Density: 2.677 g/mL at 25 °C(lit.)
• Vapor Pressure: 14.33 psi ( 20 °C)
• Vapor Density: 1.58 (21 °C, vs air)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Oxidising (O); Highly toxic (T+)
• UN Number: 1067
• German water hazard class: 3
• Hazard Class: 2.3
• Risk Statements: 8-26-34
• Safety Statements: 9-26-28-36/37/39-45
• GHS Pictograms: GHS04; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H330
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1067 2.3

Product Information

• Isotopic Purity: 98 atom % 15N; 99 atom % 15N
• Linear Formula: 15N2O4

DETAILS

Sigma Aldrich - 608718

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.

Sigma Aldrich - 486922

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.
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