gadolinium(3+) ion hexahydrate triperchlorate

• ChemBase ID: 303534
• Molecular Formular: Cl3GdH12O18
• Molecular Mass: 563.69348
• Monoisotopic Mass: 562.83302458
• SMILES: O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Gd+3].O.O.O.O.O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.O.O.O.O.O.[Gd+3]
• InChI: InChI=1S/3ClHO4.Gd.6H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H2/q;;;+3;;;;;;/p-3
• InChIKey: AWHOHDHRJRJNIT-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion hexahydrate triperchlorate
• IUPAC Traditional name: gadolinium(3+) ion hexahydrate triperchlorate
• Synonyms: Gadolinium(III) perchlorate hexahydrate; 高氯酸钆(III)六水合物

Database IDs

• CAS Number: 14017-52-8
• EC Number: 237-837-8
• MDL Number: MFCD00150239

CALCULATED PROPERTIES

• Acid pKa: -6.8919964
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4740524
• LogD (pH = 7.4): -2.4740524
• Log P: -0.097653694
• Molar Refractivity: 11.9079 cm^3
• Polarizability: 5.355259 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: UN3211
• Hazard Class: 5.1
• Packing Group: II
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-27
• TSCA Listed: 否
• 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: 50% w/w aq. soln., Reagent Grade