gadolinium(3+) ion pentahydrate trinitrate

• ChemBase ID: 302808
• Molecular Formular: GdH10N3O14
• Molecular Mass: 433.3411
• Monoisotopic Mass: 433.94038002
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Gd+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.[Gd+3]
• InChI: InChI=1S/Gd.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1
• InChIKey: BNMYHHKLYAXIKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion pentahydrate trinitrate
• IUPAC Traditional name: gadolinium(3+) ion pentahydrate trinitrate
• Synonyms: Gadolinium(III) nitrate hydrate; Gadolinium(III) nitrate hydrate, REacton®; 水合硝酸钆; 水合硝酸钆, REacton®

Database IDs

• CAS Number: 94219-55-3
• MDL Number: MFCD00011023
• Merck Index: 144326

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; Crystalline Aggregates
• Melting Point: 92°C
• Density: 2.406

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: 17-26
• 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: 99.9% (REO); 99.99% (REO)