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13826-66-9 molecular structure
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oxozirconiumbis(ylium) dinitrate

ChemBase ID: 146440
Molecular Formular: N2O7Zr
Molecular Mass: 231.2332
Monoisotopic Mass: 229.87525435
SMILES and InChIs

SMILES:
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O=[Zr+2]
Canonical SMILES:
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Zr+2]=O
InChI:
InChI=1S/2NO3.O.Zr/c2*2-1(3)4;;/q2*-1;;+2
InChIKey:
JWBWFTANBHYHBC-UHFFFAOYSA-N

Cite this record

CBID:146440 http://www.chembase.cn/molecule-146440.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxozirconiumbis(ylium) dinitrate
IUPAC Traditional name
oxozirconiumbis(ylium) dinitrate
Synonyms
Zirconyl nitrate solution
硝酸锆酰 溶液
CAS Number
13826-66-9
MDL Number
MFCD00011308
PubChem SID
162240636
24864406
PubChem CID
11506893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
391824 external link Add to cart Please log in.
Data Source Data ID
PubChem 11506893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.3999903  H Acceptors
H Donor LogD (pH = 5.5) -2.3479722 
LogD (pH = 7.4) -2.3479848  Log P 0.028413763 
Molar Refractivity 9.8534 cm3 Polarizability 3.4222581 Å3
Polar Surface Area 68.88 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
Density
1.45 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3098 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H314 expand Show data source
GHS Precautionary statements
P220-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 3098 5.1/PG 2 expand Show data source
Purity
≥99% trace metals basis expand Show data source
Concentration
35 wt. % in dilute nitric acid expand Show data source
Linear Formula
ZrO(NO3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 391824 external link
Packaging
100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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