neodymium(3+) ion hexahydrate trichloride

• ChemBase ID: 302802
• Molecular Formular: Cl3NdO6
• Molecular Mass: 346.5954
• Monoisotopic Mass: 342.78376876
• SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Nd+3]
• Canonical SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Nd+3]
• InChI: InChI=1S/3ClH.Nd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
• InChIKey: PCORICZHGNSNIZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: neodymium(3+) ion hexahydrate trichloride
• IUPAC Traditional name: neodymium(3+) ion hexahydrate trichloride
• Synonyms: Neodymium(III) chloride hydrate, REacton®; 氯化钕(III)水合物, REacton®

Database IDs

• CAS Number: 10024-93-8
• EC Number: 233-031-5
• MDL Number: MFCD00011132
• Merck Index: 146450

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; Wet Crystalline Aggregates
• Melting Point: 124°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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); 99.99% (REO)