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7446-31-3 molecular structure
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zirconium(4+) ion tetrahydrate disulfate

ChemBase ID: 303702
Molecular Formular: H8O12S2Zr
Molecular Mass: 355.41032
Monoisotopic Mass: 353.8504217
SMILES and InChIs

SMILES:
O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4]
Canonical SMILES:
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.[Zr+4]
InChI:
InChI=1S/2H2O4S.4H2O.Zr/c2*1-5(2,3)4;;;;;/h2*(H2,1,2,3,4);4*1H2;/q;;;;;;+4/p-4
InChIKey:
NLOQZPHAWQDLQW-UHFFFAOYSA-J

Cite this record

CBID:303702 http://www.chembase.cn/molecule-303702.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zirconium(4+) ion tetrahydrate disulfate
IUPAC Traditional name
zirconium(4+) ion tetrahydrate disulfate
Synonyms
Zirconium(IV) sulfate tetrahydrate
硫酸锆(IV)四水合物
CAS Number
7446-31-3
EC Number
238-694-4
MDL Number
MFCD00149267
Merck Index
1410182

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 43194 external link Add to cart
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Data Source Data ID

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 true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Density
3.22 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
99.99% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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