sodium niobiumoylolate

• ChemBase ID: 147056
• Molecular Formular: NaNbO3
• Molecular Mass: 163.89435
• Monoisotopic Mass: 163.88089114
• SMILES: [O-][Nb](=O)=O.[Na+]
• Canonical SMILES: [O-][Nb](=O)=O.[Na+]
• InChI: InChI=1S/Na.Nb.3O/q+1;;;;-1
• InChIKey: UYLYBEXRJGPQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium niobiumoylolate
• IUPAC Traditional name: sodium niobiumoylolate
• Synonyms: Niobium sodium oxide; Sodium niobate; Sodium niobate; Sodium niobium oxide, Puratronic®; 铌酸钠; 铌酸钠, Puratronic®

Database IDs

• CAS Number: 12034-09-2
• EC Number: 234-798-9
• MDL Number: MFCD00014230
• PubChem SID: 162241248; 24864939
• PubChem CID: 4682396

CALCULATED PROPERTIES

• Acid pKa: -2.0
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.5027976
• LogD (pH = 7.4): -3.5028
• Log P: -1.239
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 6.8575673 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; Powder
• Melting Point: 1422°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9%; 99.997% (metals basis)
• Particle Size: -100 mesh
• Linear Formula: NaNbO3

DETAILS

Sigma Aldrich - 400653

Packaging
5, 25 g in glass bottle
Application
Reagent / Reactant for preparation of:
• Transparent (Sr,Ba)Nb2O6 ceramics with optoelectric properties1
• Niobium sodium strontium oxides2,3
• Tungsten bronze for study of sodium/proton and sodium/deuteron cation exchange4
• Triple-layered Aurivillius phase photocatalysts5
• Niobium sodium selenide/sulfide6
• Bismuth niobium sodium oxides7
• Tin niobates8