dineodymium(3+) ion hydrate trisulfate

• ChemBase ID: 148708
• Molecular Formular: H2Nd2O13S3
• Molecular Mass: 594.68308
• Monoisotopic Mass: 589.68119912
• SMILES: O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Nd+3].[Nd+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.[Nd+3].[Nd+3]
• InChI: InChI=1S/2Nd.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
• InChIKey: RHVPCSSKNPYQDU-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dineodymium(3+) ion hydrate trisulfate
• IUPAC Traditional name: dineodymium(3+) ion hydrate trisulfate
• Synonyms: Neodymium(III) sulfate hydrate; 硫酸钕(III) 水合物

Database IDs

• CAS Number: 101509-27-7
• EC Number: 233-262-1
• MDL Number: MFCD00149802
• PubChem SID: 24859539; 162242883
• PubChem CID: 53249209

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

• Apperance: powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: Nd2(SO4)3 · xH2O

DETAILS

Sigma Aldrich - 325813

Packaging
50 g in glass bottle