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13510-41-3 molecular structure
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dipraseodymium(3+) ion octahydrate trisulfate

ChemBase ID: 110945
Molecular Formular: H16O20Pr2S3
Molecular Mass: 714.12534
Monoisotopic Mass: 713.75500991
SMILES and InChIs

SMILES:
O.O.O.O.O.O.O.O.[Pr+3].[Pr+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-].O.O.O.O.O.O.O.O.[Pr+3].[Pr+3]
InChI:
InChI=1S/3H2O4S.8H2O.2Pr/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6
InChIKey:
NIJXLQIGVGZNKP-UHFFFAOYSA-H

Cite this record

CBID:110945 http://www.chembase.cn/molecule-110945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dipraseodymium(3+) ion octahydrate trisulfate
IUPAC Traditional name
dipraseodymium(3+) ion octahydrate trisulfate
Synonyms
Praseodymium(III) sulfate octahydrate, REacton®
PRASEODYMIUM SULFATE
硫酸镨(III)八水合物, REacton®
CAS Number
13510-41-3
EC Number
233-622-8
MDL Number
MFCD00149832
Merck Index
147712
PubChem SID
162103207
PubChem CID
25022097

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25022097 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 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
99.9% expand Show data source
99.99% (REO) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05217125 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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