terbium(3+) ion hexahydrate trinitrate

• ChemBase ID: 149367
• Molecular Formular: H12N3O15Tb
• Molecular Mass: 453.03172
• Monoisotopic Mass: 452.9521877
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Tb+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.O.[Tb+3]
• InChI: InChI=1S/3NO3.6H2O.Tb/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3
• InChIKey: UTCARTSNNKGRTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: terbium(3+) ion hexahydrate trinitrate
• IUPAC Traditional name: terbium(3+) ion hexahydrate trinitrate
• Synonyms: Terbium(III) nitrate hexahydrate; 硝酸铽(III) 六水合物

Database IDs

• CAS Number: 13451-19-9
• MDL Number: MFCD00149868
• PubChem SID: 24853001; 162243534
• PubChem CID: 202879

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps

Safety Information

• RTECS: WY9625000
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1477
• German water hazard class: 2
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36/37/39
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), 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 1477 5.1/PG 2

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: Tb(NO3)3 · 6H2O

DETAILS

Sigma Aldrich - 217212

Packaging
2, 10 g in poly bottle
Application
Forms a permanently microporous material [Tb2(1,4-benzenedicarboxylate)3] whose luminescence properties hold promise for sensor applications.1