tetraoxo-2,4-dioxa-3-plumba-1,5-diniobapentane

• ChemBase ID: 137416
• Molecular Formular: Nb2O6Pb
• Molecular Mass: 489.00916
• Monoisotopic Mass: 489.75889572
• SMILES: O=[Nb](=O)O[Pb]O[Nb](=O)=O
• Canonical SMILES: O=[Nb](=O)O[Pb]O[Nb](=O)=O
• InChI: InChI=1S/2Nb.6O.Pb
• InChIKey: HJQKHVBXBQZGBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraoxo-2,4-dioxa-3-plumba-1,5-diniobapentane
• IUPAC Traditional name: tetraoxo-2,4-dioxa-3-plumba-1,5-diniobapentane
• Synonyms: Lead(II) niobate; 铌酸铅(II)

Database IDs

• CAS Number: 12034-88-7
• EC Number: 234-814-4
• MDL Number: MFCD00061450
• PubChem SID: 24867263; 162231679
• PubChem CID: 16685050

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8332
• LogD (pH = 7.4): -0.8332
• Log P: -0.8332
• Molar Refractivity: 8.472 cm^3
• Polarizability: 21.89891 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 61-20/22-33-50/53-62
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H332-H360Df-H373-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3

Product Information

• Particle Size: -200 mesh
• Linear Formula: Pb(NbO3)2