disamarium(3+) ion trisulfate

• ChemBase ID: 111231
• Molecular Formular: O12S3Sm2
• Molecular Mass: 588.9078
• Monoisotopic Mass: 591.69465244
• SMILES: [Sm+3].[Sm+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sm+3].[Sm+3]
• InChI: InChI=1S/3H2O4S.2Sm/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6
• InChIKey: LVSITDBROURTQX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: disamarium(3+) ion trisulfate
• IUPAC Traditional name: disamarium(3+) ion trisulfate
• Synonyms: SAMARIUM SULFATE; Samarium(III) sulfate; 硫酸钐(III)

Database IDs

• CAS Number: 13465-58-2; 15123-65-6
• EC Number: 237-211-4
• MDL Number: MFCD00011236
• PubChem SID: 162097066; 24880785
• PubChem CID: 166884

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder and chunks

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• 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: ≥99.99% trace metals basis; 99.9%
• Linear Formula: Sm2(SO4)3

DETAILS

MP Biomedicals - 05218281

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 575178

Packaging
25 g in glass bottle