gadolinium(3+) ion hexahydrate trichloride

• ChemBase ID: 302809
• Molecular Formular: Cl3GdO6
• Molecular Mass: 359.6054
• Monoisotopic Mass: 358.80014876
• SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Gd+3]
• Canonical SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Gd+3]
• InChI: InChI=1S/3ClH.Gd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
• InChIKey: PNYPSKHTTCTAMD-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion hexahydrate trichloride
• IUPAC Traditional name: gadolinium(3+) ion hexahydrate trichloride
• Synonyms: Gadolinium(III) chloride hexahydrate, REacton®; 氯化钆六水合物, REacton®

Database IDs

• CAS Number: 13450-84-5
• EC Number: 233-386-6
• MDL Number: MFCD00149732
• 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: Crystalline Aggregates
• Density: 2.424

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 99.9% (REO); 99.99% (REO)