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21959-01-3 molecular structure
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zirconium(4+) ion bis(oxolane) tetrachloride

ChemBase ID: 303412
Molecular Formular: C8H16Cl4O2Zr
Molecular Mass: 377.24744
Monoisotopic Mass: 373.89514447
SMILES and InChIs

SMILES:
C1CCOC1.C1CCOC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
Canonical SMILES:
C1CCCO1.C1CCCO1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChI:
InChI=1S/2C4H8O.4ClH.Zr/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4
InChIKey:
VDJJKYYENYIHFF-UHFFFAOYSA-J

Cite this record

CBID:303412 http://www.chembase.cn/molecule-303412.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zirconium(4+) ion bis(oxolane) tetrachloride
IUPAC Traditional name
zirconium(4+) ion bis(tetrahydrofuran) tetrachloride
Synonyms
Zirconium(IV) chloride - tetrahydrofuran complex
Tetrachlorobis(tetrahydrofuran)zirconium(IV)
双(四氢呋喃)四氯化锆(IV)
CAS Number
21959-01-3
MDL Number
MFCD00145367

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 39550 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.53034693  LogD (pH = 7.4) 0.53034693 
Log P 0.53034693  Molar Refractivity 20.5535 cm3
Polarizability 8.060449 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Melting Point
175-177°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3096 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
14-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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