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13772-29-7 molecular structure
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zirconium(4+) ion dihydrogen phosphate

ChemBase ID: 151151
Molecular Formular: H2O8P2Zr
Molecular Mass: 283.182602
Monoisotopic Mass: 281.82719428
SMILES and InChIs

SMILES:
OP(=O)([O-])[O-].OP(=O)([O-])[O-].[Zr+4]
Canonical SMILES:
[O-]P(=O)(O)[O-].[O-]P(=O)(O)[O-].[Zr+4]
InChI:
InChI=1S/2H3O4P.Zr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+4/p-4
InChIKey:
QOKYJGZIKILTCY-UHFFFAOYSA-J

Cite this record

CBID:151151 http://www.chembase.cn/molecule-151151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zirconium(4+) ion dihydrogen phosphate
IUPAC Traditional name
zirconium(4+) ion dihydrogen phosphate
Synonyms
Zirconium(IV) hydrogenphosphate
磷酸氢锆(IV)
CAS Number
13772-29-7
EC Number
237-401-7
MDL Number
MFCD00799602
PubChem SID
162245309
24870152
PubChem CID
9817245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
464236 external link Add to cart Please log in.
Data Source Data ID
PubChem 9817245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 12.4085 cm3 Polarizability 5.685633 Å3
Polar Surface Area 83.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Density
3.3 g/mL at 25 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Linear Formula
Zr(HPO4)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 464236 external link
Packaging
250 g in glass bottle
Application
Employed in the preparation of layered organic-inorganic, hybrid, conducting materials.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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