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7699-43-6 molecular structure
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dichloro(oxo)zirconium

ChemBase ID: 151878
Molecular Formular: Cl2OZr
Molecular Mass: 178.1294
Monoisotopic Mass: 175.83732398
SMILES and InChIs

SMILES:
O=[Zr](Cl)Cl
Canonical SMILES:
Cl[Zr](=O)Cl
InChI:
InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2
InChIKey:
IPCAPQRVQMIMAN-UHFFFAOYSA-L

Cite this record

CBID:151878 http://www.chembase.cn/molecule-151878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichloro(oxo)zirconium
IUPAC Traditional name
zirconium oxychloride
Synonyms
Zirconyl chloride solution
氧氯化锆 溶液
CAS Number
7699-43-6
MDL Number
MFCD00011309
PubChem SID
24870150
162246024
PubChem CID
24373

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
464198 external link Add to cart Please log in.
Data Source Data ID
PubChem 24373 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9176  LogD (pH = 7.4) 0.9176 
Log P 0.9176  Molar Refractivity 13.7155 cm3
Polarizability 9.818194 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Melting Point
-15 °C expand Show data source
Density
1.344 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1789 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1789 8/PG 2 expand Show data source
Concentration
30% in hydrochloric acid expand Show data source
Linear Formula
ZrOCl2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 464198 external link
Packaging
250 mL in glass bottle
Application
Building block for a new series of mixed zirconium phosphonates which may have uses in catalysis, ion exchange or photophysics.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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