gadolinium(3+) ion hydrate trihydroxide

• ChemBase ID: 303525
• Molecular Formular: GdO4
• Molecular Mass: 221.2476
• Monoisotopic Mass: 221.90376148
• SMILES: O.[OH-].[OH-].[OH-].[Gd+3]
• Canonical SMILES: O.[OH-].[OH-].[OH-].[Gd+3]
• InChI: InChI=1S/Gd.4H2O/h;4*1H2/q+3;;;;/p-3
• InChIKey: XPLNUMUBAPCAEW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion hydrate trihydroxide
• IUPAC Traditional name: gadolinium(3+) ion hydrate trihydroxide
• Synonyms: Gadolinium(III) hydroxide hydrate; 水合氢氧化钆(III)

Database IDs

• CAS Number: 100634-91-1
• EC Number: 240-516-5
• MDL Number: MFCD00049930
• Merck Index: 144326

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.9% (REO)