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555-31-7 molecular structure
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aluminium(3+) ion tris(propan-2-olate)

ChemBase ID: 109289
Molecular Formular: C9H24AlO3
Molecular Mass: 207.266598
Monoisotopic Mass: 207.15408326
SMILES and InChIs

SMILES:
[AlH3+3].CC(C)[O-].CC(C)[O-].CC(C)[O-]
Canonical SMILES:
[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[AlH3+3]
InChI:
InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKey:
SMZOGRDCAXLAAR-UHFFFAOYSA-N

Cite this record

CBID:109289 http://www.chembase.cn/molecule-109289.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
aluminium(3+) ion tris(propan-2-olate)
IUPAC Traditional name
aluminium(3+) tris(propan-2-olate)
aluminium(3+) ion tris(propan-2-olate)
Synonyms
ALUMINUM ISOPROPOXIDE
Triisopropoxyaluminium
Aluminium isopropanolate
Aluminium sec-propanolate
Aluminium triisopropoxide
2-Propanol aluminium salt
AIP
Aluminium isopropoxide
Aluminum isopropylate
Triisopropoxyaluminum
Aluminum isopropoxide
异丙醇铝
CAS Number
555-31-7
EC Number
209-090-8
MDL Number
MFCD00008870
Merck Index
14347
PubChem SID
162088924
PubChem CID
11143
Chemspider ID
10670
Wikipedia Title
Aluminium_isopropoxide

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
Decomposes in water expand Show data source
Soluble in alcohol, benzene, and toluene. Decomposes in water expand Show data source
Soluble in isopropanol expand Show data source
Apperance
Granular expand Show data source
Powder expand Show data source
white solid expand Show data source
Melting Point
131-135°C expand Show data source
Sensitive to purity:
138–142 °C (99.99+%)
118 °C (98+%)
expand Show data source
Boiling Point
@10 torr 135 °C (408 K) expand Show data source
135°C/10mm expand Show data source
Flash Point
16 °C expand Show data source
Density
1.035 expand Show data source
1.035 g/cm3, solid expand Show data source
Refractive Index
1.0346 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
BD0975000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
UN3181 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11 expand Show data source
R:11 expand Show data source
R11 expand Show data source
Safety Statements
8-16 expand Show data source
S:8-16 expand Show data source
S8, S16 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
Main Hazard
Flammable (F) expand Show data source
NFPA704
NFPA 704 diagram
1
2
2
expand Show data source
GHS Hazard statements
H228 expand Show data source
GHS Precautionary statements
P210-P241-P280-P240-P370+P378A expand Show data source
Purity
98+% expand Show data source
99.99+% (metals basis) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 05210479 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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