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13520-92-8 molecular structure
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zirconium(4+) ion octahydrate dichloride oxidandiide

ChemBase ID: 295239
Molecular Formular: Cl2O9Zr
Molecular Mass: 306.1246
Monoisotopic Mass: 303.79664094
SMILES and InChIs

SMILES:
O.O.O.O.O.O.O.O.[O-2].[Cl-].[Cl-].[Zr+4]
Canonical SMILES:
O.O.O.O.O.O.O.O.[O-2].[Cl-].[Cl-].[Zr+4]
InChI:
InChI=1S/2ClH.8H2O.O.Zr/h2*1H;8*1H2;;/q;;;;;;;;;;-2;+4/p-2
InChIKey:
GKDATSDYQKXWPA-UHFFFAOYSA-L

Cite this record

CBID:295239 http://www.chembase.cn/molecule-295239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zirconium(4+) ion octahydrate dichloride oxidandiide
IUPAC Traditional name
zirconium(4+) ion octahydrate dichloride oxidandiide
Synonyms
Zirconium oxychloride
Zirconyl chloride
Zirconium dichloride oxide octahydrate
Zirconium dichloride oxide hydrate, Puratronic®
八水合二氯氧化锆
水合二氯氧化锆, Puratronic®
CAS Number
13520-92-8
15461-27-5
EC Number
231-717-9
MDL Number
MFCD00149897
MFCD00149898
Merck Index
1410184
PubChem SID
180680770
PubChem CID
19006109

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19006109 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.652  LogD (pH = 7.4) -0.652 
Log P -0.652  Molar Refractivity 3.7 cm3
Polarizability 1.4714895 Å3 Polar Surface Area 25.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 15.7 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in water, alcohol expand Show data source
Apperance
Crystalline Aggregates expand Show data source
Lump expand Show data source
Melting Point
400°C dec. expand Show data source
Density
1.91 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
UN3260 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
22-34-68 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H301-H314-H318-H341 expand Show data source
H314-H318-H341-H303 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
98% expand Show data source
99.9% (metals basis) expand Show data source
99.9985% (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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