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2172-12-5 molecular structure
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yttrium(3+) ion tris(propan-2-olate)

ChemBase ID: 303004
Molecular Formular: C9H21O3Y
Molecular Mass: 266.16709
Monoisotopic Mass: 266.05491753
SMILES and InChIs

SMILES:
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Y+3]
Canonical SMILES:
[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Y+3]
InChI:
InChI=1S/3C3H7O.Y/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKey:
PYLIDHFYDYRZSC-UHFFFAOYSA-N

Cite this record

CBID:303004 http://www.chembase.cn/molecule-303004.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
yttrium(3+) ion tris(propan-2-olate)
IUPAC Traditional name
yttrium(3+) ion tris(propan-2-olate)
Synonyms
Yttrium(III) isopropoxide
异丙醇钇(III)
CAS Number
2172-12-5
MDL Number
MFCD00015641

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 14477 external link Add to cart 14524 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.262587  H Acceptors
H Donor LogD (pH = 5.5) 0.2548059 
LogD (pH = 7.4) 0.25480592  Log P 0.25480592 
Molar Refractivity 27.979 cm3 Polarizability 6.5838666 Å3
Polar Surface Area 23.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in hexane, THF, toluene expand Show data source
Apperance
Powder expand Show data source
Yellow-brown liquid expand Show data source
Melting Point
160°C expand Show data source
Boiling Point
200-210°C/1mm subl. expand Show data source
Density
0.955 expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
X expand Show data source
UN Number
UN2925 expand Show data source
UN3274 expand Show data source
Hazard Class
3 expand Show data source
4.1 expand Show data source
Packing Group
II expand Show data source
III expand Show data source
Risk Statements
11-34 expand Show data source
11-34-48/20-63-67 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H225-H314-H318-H361-H373-H336 expand Show data source
H314-H318-H228 expand Show data source
GHS Precautionary statements
P210-P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Purity
20-25% w/w in toluene expand Show data source
90+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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