dineodymium(3+) ion hydrate tricarbonate

• ChemBase ID: 109813
• Molecular Formular: C3H2Nd2O10
• Molecular Mass: 486.52198
• Monoisotopic Mass: 481.78024226
• SMILES: O.[Nd+3].[Nd+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.[Nd+3].[Nd+3]
• InChI: InChI=1S/3CH2O3.2Nd.H2O/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;1H2/q;;;2*+3;/p-6
• InChIKey: CZXBEKQIOBCHSG-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dineodymium(3+) ion hydrate tricarbonate
• IUPAC Traditional name: dineodymium(3+) ion hydrate triCO3; dineodymium(3+) ion hydrate tricarbonate
• Synonyms: NEODYMIUM CARBONATE; Neodymium(III) carbonate hydrate; 碳酸钕(III) 水合物; 碳酸钕(III)水合物

Database IDs

• CAS Number: 38245-38-4
• EC Number: 227-579-4
• MDL Number: MFCD00150426
• PubChem SID: 24868608; 162090496
• PubChem CID: 217202

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; Powder
• Melting Point: 114 °C(lit.)

Safety Information

• RTECS: FG1960000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• 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%; 99.9% (REO); 99.9% trace metals basis
• Linear Formula: Nd2(CO3)3 · xH2O

DETAILS

MP Biomedicals - 05212682

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 451185

Packaging
25 g in poly bottle