disamarium(3+) ion octahydrate trisulfate

• ChemBase ID: 147168
• Molecular Formular: H16O20S3Sm2
• Molecular Mass: 733.03004
• Monoisotopic Mass: 735.77916991
• SMILES: O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sm+3].[Sm+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Sm+3].[Sm+3]
• InChI: InChI=1S/3H2O4S.8H2O.2Sm/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6
• InChIKey: SICAFVHZPBSARB-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: disamarium(3+) ion octahydrate trisulfate
• IUPAC Traditional name: disamarium(3+) ion octahydrate trisulfate
• Synonyms: Samarium(III) sulfate octahydrate; Samarium(III) sulfate octahydrate, REacton®; 硫酸钐(III) 八水合物; 八水硫酸钐, Reacton®

Database IDs

• CAS Number: 13465-58-2
• EC Number: 237-211-4
• MDL Number: MFCD00149862; MFCD00011236
• Merck Index: 148347
• PubChem SID: 24852249; 162241359; 24859542
• PubChem CID: 71311263

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

• Solubility: Sparingly soluble in water
• Apperance: Crystalline; solid
• Melting Point: 450°C -8H{2}O
• Density: 2.93 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9% (REO); 99.9% trace metals basis; 99.99%
• Linear Formula: Sm2(SO4)3 · 8H2O

DETAILS

Sigma Aldrich - 325880

包装
25 g in glass bottle

Sigma Aldrich - 204285

Packaging
25 g in poly bottle