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17927-65-0 molecular structure
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dialuminium(3+) ion hydrate trisulfate

ChemBase ID: 130838
Molecular Formular: Al2H8O13S3
Molecular Mass: 366.213796
Monoisotopic Mass: 365.87578058
SMILES and InChIs

SMILES:
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[AlH3+3].[AlH3+3]
Canonical SMILES:
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.[AlH3+3].[AlH3+3]
InChI:
InChI=1S/2Al.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
InChIKey:
BUACSMWVFUNQET-UHFFFAOYSA-H

Cite this record

CBID:130838 http://www.chembase.cn/molecule-130838.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dialuminium(3+) ion hydrate trisulfate
IUPAC Traditional name
dialuminium(3+) ion hydrate trisulfate
Synonyms
Aluminum sulfate
Aluminum sulfate hydrate
水合硫酸铝 水合物
铝 硫酸酯
水合硫酸铝 水合物
CAS Number
17927-65-0
EC Number
233-135-0
MDL Number
MFCD00149138
PubChem SID
24868238
24862907
24890194
162225116
PubChem CID
3080712

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3080712 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 11.5274 cm3 Polarizability 6.037845 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder and chunks expand Show data source
Density
1.69 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
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% expand Show data source
98% expand Show data source
99.998% trace metals basis expand Show data source
Compostion
Degree of hydration, 14-18 expand Show data source
water, 14-18 mol/mol expand Show data source
Suitability
meets USP testing specifications expand Show data source
Linear Formula
Al2(SO4)3 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 450308 external link
Packaging
5 g in poly bottle
Sigma Aldrich - 368458 external link
Packaging
2.5 kg in poly bottle
500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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