thulium(3+) ion pentahydrate trinitrate

• ChemBase ID: 147930
• Molecular Formular: H10N3O14Tm
• Molecular Mass: 445.02531
• Monoisotopic Mass: 444.95049002
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Tm+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.[Tm+3]
• InChI: InChI=1S/3NO3.5H2O.Tm/c3*2-1(3)4;;;;;;/h;;;5*1H2;/q3*-1;;;;;;+3
• InChIKey: PEYIBPJKEYRLDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thulium(3+) ion pentahydrate trinitrate
• IUPAC Traditional name: thulium(3+) ion pentahydrate trinitrate
• Synonyms: Thulium trinitrate pentahydrate; Thulium(III) nitrate pentahydrate; 硝酸铥(III) 五水合物

Database IDs

• CAS Number: 36548-87-5
• EC Number: 239-069-9
• MDL Number: MFCD00149875
• PubChem SID: 24859552; 162242111
• PubChem CID: 71311313

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: powder

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1477
• German water hazard class: 3
• 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: 99.9%
• Linear Formula: Tm(NO3)3 · 5H2O

DETAILS

Sigma Aldrich - 325996

Packaging
1, 5 g in glass bottle