aluminium(3+) ion tris(nitrooxidane)

• ChemBase ID: 125756
• Molecular Formular: AlH3N3O9
• Molecular Mass: 216.020058
• Monoisotopic Mass: 215.96846732
• SMILES: [AlH3+3].O=[N+]([O-])[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[AlH3+3]
• InChI: InChI=1S/Al.3NO3/c;3*2-1(3)4/q+3;3*-1
• InChIKey: JLDSOYXADOWAKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tris(nitrooxidane); aluminium(3+) ion trinitrate
• IUPAC Traditional name: aluminium(3+) ion trinitronate; aluminium(3+) ion trinitrate
• Synonyms: Nitric acid, aluminum salt; aluminum nitrate; aluminium(III) nitrate; Aluminium nitrate; Aluminum nitrate hydrate, Puratronic®; Aluminum nitrate solution; Aluminum standard solution; 水合硝酸铝, Puratronic®; Aluminum standard solution

Database IDs

• CAS Number: 25838-59-9; 13473-90-0
• EC Number: 236-751-8
• MDL Number: MFCD00134029; MFCD00003419
• Merck Index: 14352
• PubChem SID: 162220104
• PubChem CID: 26053
• Chemspider ID: 24267
• Wikipedia Title: Aluminium_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: anhydrous: ; 60.0 g/100 mL (0°C) ; 73.4 g/100 mL (20 °C) ; 160 g/100 mL (100 °C)

  ---

  nonahydrate: ; 67.3 g/100 mL in water; 14.45 g/ 100mL in methanol; 18.32 g/100 mL in ethylene glycol; 8.63 g/ 100mL in ethanol
• Apperance: Crystalline; White crystals
• Melting Point: 72.8°C (nonahydrate); 73.5°C (dec. at 135°C)
• Boiling Point: 135°C (nonahydrate, decomp.)
• Flash Point: 135 °C (nonahydrate)
• Density: 1.72 g/cm^3 (nonahydrate)
• Refractive Index: 1.54
• Odor: odorless

Safety Information

• Storage Warning: Hygroscopic
• RTECS: BD1040000 (anhydrous) ; BD1050000 (nonahydrate)
• European Hazard Symbols: Oxidising (O); X; Irritant (Xi)
• UN Number: 3264; UN1438
• German water hazard class: 1
• Hazard Class: 5.1; 8
• Packing Group: 3; III
• Risk Statements: 36/38; 8-22-36/38
• Safety Statements: 17-26-36/37-60; 26
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS06
• NFPA704:
  

  0

  0

  3

  OX
• LD50: 4280 mg/kg, oral (rat)
• GHS Hazard statements: H272-H301-H315-H319
• GHS Precautionary statements: P221-P210-P301+P310-P305+P351+P338-P405-P501A
• RID/ADR: UN 3264 8/PG 3

Product Information

• Purity: 99.999% (metals basis excluding Hg)
• Concentration: 1 mg/mL Al; 1000 ppm Al
• Suitability: suitable for atomic absorption spectrometry