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13776-88-0 molecular structure
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tris(phosphooxy)alumane

ChemBase ID: 149688
Molecular Formular: AlO9P3
Molecular Mass: 263.897421
Monoisotopic Mass: 263.8570551
SMILES and InChIs

SMILES:
O=P(=O)O[Al](OP(=O)=O)OP(=O)=O
Canonical SMILES:
O=P(=O)O[Al](OP(=O)=O)OP(=O)=O
InChI:
InChI=1S/Al.3HO3P/c;3*1-4(2)3/h;3*(H,1,2,3)/q+3;;;/p-3
InChIKey:
DHAHRLDIUIPTCJ-UHFFFAOYSA-K

Cite this record

CBID:149688 http://www.chembase.cn/molecule-149688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(phosphooxy)alumane
IUPAC Traditional name
tris(phosphooxy)alumane
Synonyms
Aluminum metaphosphate
偏磷酸铝
CAS Number
13776-88-0
EC Number
237-415-3
MDL Number
MFCD00075314
PubChem SID
162243850
24861118
PubChem CID
16700805

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
344915 external link Add to cart Please log in.
Data Source Data ID
PubChem 16700805 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.0524  LogD (pH = 7.4) -0.0524 
Log P -0.0524  Molar Refractivity 33.216 cm3
Polarizability 16.02301 Å3 Polar Surface Area 130.11 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Density
2.78 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Linear Formula
Al(PO3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 344915 external link
Packaging
500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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