disodium trioxotrititanoxane-1,5-bis(olate)

• ChemBase ID: 129536
• Molecular Formular: Na2O7Ti3
• Molecular Mass: 301.57634
• Monoisotopic Mass: 301.7877798
• SMILES: [O-][Ti](=O)O[Ti](=O)O[Ti](=O)[O-].[Na+].[Na+]
• Canonical SMILES: O=[Ti](O[Ti](=O)[O-])O[Ti](=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/2Na.7O.3Ti/q2*+1;;;;;;2*-1
• InChIKey: GROMGGTZECPEKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium trioxotrititanoxane-1,5-bis(olate)
• IUPAC Traditional name: disodium trioxotrititanoxane-1,5-bis(olate)
• Synonyms: sodium trititanate; Sodium metatitanate; Sodium titanium oxide; Sodium metatitanate; 偏钛酸钠盐

Database IDs

• CAS Number: 12034-36-5
• EC Number: 234-803-4
• MDL Number: MFCD00014243
• PubChem SID: 162223828; 24865004
• PubChem CID: 16212573
• Wikipedia Title: Sodium_metatitanate

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.716955
• LogD (pH = 7.4): -6.1055098
• Log P: -1.5842
• Molar Refractivity: 9.9149 cm^3
• Polarizability: 14.186009 Å^3
• Polar Surface Area: 115.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: white powder
• Melting Point: 1128 °C
• Density: 3.4 g/mL at 25 °C(lit.); 3.941 g/cm3, solid

Safety Information

• German water hazard class: 3
• NFPA704:
  

  0

  1

  0
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: -200 mesh
• Linear Formula: Na2Ti3O7

DETAILS

Sigma Aldrich - 401307

Packaging
50, 250 g in glass bottle
Application

• Used as a low-voltage sodium titanium oxide insertion electrode for sodium-ion batteries1Used for preparation of:
• Titania nanorods and nanowires via a hydrothermal method for use in lithium-ion storage batteries2
• Photocatalytic titanate nanotube thin films via a hydrothermal method3
• Protonated titanate nanotubes as solid acid catalysts4
• Nano-sized supports of ruthenium nanoparticles for catalytic ammonia decomposition5