dineodymium(3+) ion octahydrate trisulfate

• ChemBase ID: 107896
• Molecular Formular: H16Nd2O20S3
• Molecular Mass: 720.79004
• Monoisotopic Mass: 715.75515191
• SMILES: O.O.O.O.O.O.O.O.[Nd+3].[Nd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Nd+3].[Nd+3]
• InChI: InChI=1S/2Nd.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6
• InChIKey: IOUARGWNXMWCLD-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dineodymium(3+) ion octahydrate trisulfate
• IUPAC Traditional name: dineodymium(3+) ion octahydrate trisulfate
• Synonyms: NEODYMIUM SULFATE; Neodymium(III) sulfate octahydrate; Neodymium(III) sulfate octahydrate, REacton®; 硫酸钕(III)八水合物; 硫酸钕(III)八水合物, REacton®

Database IDs

• CAS Number: 13477-91-3
• EC Number: 233-262-1
• MDL Number: MFCD00149803
• Merck Index: 146450
• PubChem SID: 162095106
• PubChem CID: 25021979

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Crystalline
• Melting Point: 1176°C
• Density: 2.85

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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%; 99.9% (REO); 99.99% (REO); 99.999% (REO)

DETAILS

MP Biomedicals - 05205386

MP Biomedicals Rare Chemical collection