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37287-16-4 molecular structure
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tris(oxo[(oxoalumanyl)oxy]alumane); bis(silanedione)

ChemBase ID: 146615
Molecular Formular: Al6H6O13Si2
Molecular Mass: 432.100068
Monoisotopic Mass: 431.8239251
SMILES and InChIs

SMILES:
O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[Si]=O.O=[Si]=O
Canonical SMILES:
O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[Si]=O.O=[Si]=O
InChI:
InChI=1S/6Al.2O2Si.9O/c;;;;;;2*1-3-2;;;;;;;;;
InChIKey:
KZHJGOXRZJKJNY-UHFFFAOYSA-N

Cite this record

CBID:146615 http://www.chembase.cn/molecule-146615.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(oxo[(oxoalumanyl)oxy]alumane); bis(silanedione)
IUPAC Traditional name
tris(aluminium oxide); bis(silica)
Synonyms
Aluminosilicate
Mullite
Aluminum silicate
莫来石
硅酸铝
CAS Number
37287-16-4
142844-00-6
EC Number
215-113-2
MDL Number
MFCD00058866
PubChem SID
24874094
162240809
24845917
PubChem CID
12880061

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12880061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4684  LogD (pH = 7.4) 2.4684 
Log P 2.4684  Molar Refractivity 4.236 cm3
Polarizability 6.522983 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
fibers (may contain particles) expand Show data source
powder expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
49 expand Show data source
Safety Statements
53-45 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H350i expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Grade
for Gooch crucibles expand Show data source
Impurities
asbestos, none detected expand Show data source
Quality
washed expand Show data source
Linear Formula
3Al2O3 · 2SiO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 520179 external link
Packaging
250 g in glass bottle
Sigma Aldrich - 06416 external link
Analysis Note
classification-temperature: 1260°C (the classification-temperature has been detected by irreversible, linear change, not by melting point)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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