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12027-43-9 molecular structure
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tetrakis(hexaoxocyclotritungstoxane) silicic acid hydrate

ChemBase ID: 145933
Molecular Formular: H6O41SiW12
Molecular Mass: 2896.18854
Monoisotopic Mass: 2897.22654814
SMILES and InChIs

SMILES:
O.O[Si](O)(O)O.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1
Canonical SMILES:
O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O[Si](O)(O)O.O
InChI:
InChI=1S/H4O4Si.H2O.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-4H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey:
ACTPFSYIGLFGLY-UHFFFAOYSA-N

Cite this record

CBID:145933 http://www.chembase.cn/molecule-145933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrakis(hexaoxocyclotritungstoxane) silicic acid hydrate
IUPAC Traditional name
silicic acid tetrakis(tungsten oxide) hydrate
Synonyms
Silicotungstic acid
Tungstosilicic acid hydrate
硅钨酸
钨硅酸 水合物
CAS Number
12027-43-9
EC Number
234-719-8
MDL Number
MFCD00150392
PubChem SID
162240133
24863956
24900077
24890150
PubChem CID
71307034

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71307034 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2948  LogD (pH = 7.4) -1.2948 
Log P -1.2948  Molar Refractivity 12.708 cm3
Polarizability 29.354631 Å3 Polar Surface Area 130.11 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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 expand Show data source
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
Purity
≥99.9% trace metals basis expand Show data source
Grade
purum p.a. expand Show data source
Compostion
Degree of hydration, 25-26 expand Show data source
Cation Traces
Ca: ≤200 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤200 mg/kg expand Show data source
Na: ≤3000 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤200 mg/kg expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
Loss on Drying
≤20% loss on ignition expand Show data source
Linear Formula
H4[Si(W3O10)4] · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T2786 external link
Application
Reactant for:
• Preparation of silicotungstate butylmethylimidazolium bromide ionic liquid hybrid material1
• Synthesis of SnII-substituted Keggin-type polyoxometalates as photocatalysts2
• Preparation of silicotungstic acid/organically modified silane proton-conducting membranes3
• Preparation of charge transfer compounds with Keggin anions4
• Preparation of catalyst for catalytic liquid-phase oxidation of xylene5
Sigma Aldrich - 95395 external link
Application
Reactant for:
• Preparation of silicotungstate butylmethylimidazolium bromide ionic liquid hybrid material1
• Synthesis of SnII-substituted Keggin-type polyoxometalates as photocatalysts2
• Preparation of silicotungstic acid/organically modified silane proton-conducting membranes3
• Preparation of charge transfer compounds with Keggin anions4
• Preparation of catalyst for catalytic liquid-phase oxidation of xylene5
Sigma Aldrich - 383341 external link
Packaging
50 g in glass bottle
Application
Reactant for:
• Preparation of silicotungstate butylmethylimidazolium bromide ionic liquid hybrid material1
• Synthesis of SnII-substituted Keggin-type polyoxometalates as photocatalysts2
• Preparation of silicotungstic acid/organically modified silane proton-conducting membranes3
• Preparation of charge transfer compounds with Keggin anions4
• Preparation of catalyst for catalytic liquid-phase oxidation of xylene5

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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