scandium(3+) ion trinitrate

• ChemBase ID: 302797
• Molecular Formular: N3O9Sc
• Molecular Mass: 230.97061
• Monoisotopic Mass: 230.9193655
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Sc+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Sc+3]
• InChI: InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3
• InChIKey: DFCYEXJMCFQPPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: scandium(3+) ion trinitrate
• IUPAC Traditional name: scandium(3+) ion trinitrate
• Synonyms: Scandium(III) nitrate hydrate, REacton®; 水合硝酸钪, REacton®

Database IDs

• CAS Number: 13465-60-6
• EC Number: 236-701-5
• MDL Number: MFCD00011220
• Merck Index: 148392

CALCULATED PROPERTIES

• 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

• Apperance: Crystalline Aggregates

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: UN1477
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 8-36/37/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P221-P210-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99.99% (REO)