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13465-58-2 molecular structure
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disamarium(3+) ion trisulfate

ChemBase ID: 111231
Molecular Formular: O12S3Sm2
Molecular Mass: 588.9078
Monoisotopic Mass: 591.69465244
SMILES and InChIs

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

Cite this record

CBID:111231 http://www.chembase.cn/molecule-111231.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disamarium(3+) ion trisulfate
IUPAC Traditional name
disamarium(3+) ion trisulfate
Synonyms
SAMARIUM SULFATE
Samarium(III) sulfate
硫酸钐(III)
CAS Number
13465-58-2
15123-65-6
EC Number
237-211-4
MDL Number
MFCD00011236
PubChem SID
162097066
24880785
PubChem CID
166884

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 166884 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 11.5274 cm3 Polarizability 6.037845 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder and chunks expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.99% trace metals basis expand Show data source
99.9% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
Sm2(SO4)3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05218281 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 575178 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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