neodymium(3+) ion hydrate phosphate

• ChemBase ID: 134627
• Molecular Formular: H2NdO5P
• Molecular Mass: 257.226641
• Monoisotopic Mass: 254.87170779
• SMILES: O.[O-]P(=O)([O-])[O-].[Nd+3]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O.[Nd+3]
• InChI: InChI=1S/Nd.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+3;;/p-3
• InChIKey: NZFACMUBFNPQSR-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: neodymium(3+) ion hydrate phosphate
• IUPAC Traditional name: neodymium(3+) ion hydrate phosphate
• Synonyms: Neodymium(III) phosphate hydrate; 磷酸钕(III) 水合物

Database IDs

• CAS Number: 14298-32-9
• EC Number: 238-232-1
• MDL Number: MFCD05663757
• PubChem SID: 24881157; 162228903
• PubChem CID: 16217369

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks

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: ≥99.99% trace metals basis
• Empirical Formula (Hill Notation): NdO4P · xH2O