dithulium(3+) ion hydrate tricarbonate

• ChemBase ID: 111351
• Molecular Formular: C3H2O10Tm2
• Molecular Mass: 535.9104
• Monoisotopic Mass: 535.83322226
• SMILES: O.[Tm+3].[Tm+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.[Tm+3].[Tm+3]
• InChI: InChI=1S/3CH2O3.H2O.2Tm/c3*2-1(3)4;;;/h3*(H2,2,3,4);1H2;;/q;;;;2*+3/p-6
• InChIKey: DMOSHJIOLRHSGW-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dithulium(3+) ion hydrate tricarbonate
• IUPAC Traditional name: dithulium(3+) ion hydrate tricarbonate; dithulium(3+) ion hydrate triCO3
• Synonyms: Carbonic acid thulium(III) salt hydrate; Thulium(III) carbonate hydrate; THULIUM CARBONATE; 碳酸铥(III) 水合物

Database IDs

• CAS Number: 87198-17-2
• MDL Number: MFCD00149979
• PubChem SID: 24859551; 162096685
• PubChem CID: 25022212

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9%; 99.99%
• Linear Formula: Tm2(CO3)3 · xH2O

DETAILS

MP Biomedicals - 05218777

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 325988

Packaging
1 g in serum bottle
Application
Reagent for thermal decomposition1