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207738-09-8 molecular structure
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thallium(3+) ion hydrate triperchlorate

ChemBase ID: 139049
Molecular Formular: Cl3H2O13Tl
Molecular Mass: 520.75038
Monoisotopic Mass: 519.83052516
SMILES and InChIs

SMILES:
O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Tl+3]
Canonical SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.[Tl+3]
InChI:
InChI=1S/3ClHO4.H2O.Tl/c3*2-1(3,4)5;;/h3*(H,2,3,4,5);1H2;/q;;;;+3/p-3
InChIKey:
DXHAWILRGQHYAE-UHFFFAOYSA-K

Cite this record

CBID:139049 http://www.chembase.cn/molecule-139049.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thallium(3+) ion hydrate triperchlorate
IUPAC Traditional name
thallium(3+) ion hydrate triperchlorate
Synonyms
Thallium(III) perchlorate hydrate
高氯酸铊(III) 水合物
CAS Number
207738-09-8
EC Number
239-677-4
MDL Number
MFCD00192497
PubChem SID
162233300
24865217
PubChem CID
16212594

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
403768 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212594 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five false 
Acid pKa -6.8919964  H Acceptors
H Donor LogD (pH = 5.5) -2.4740524 
LogD (pH = 7.4) -2.4740524  Log P -0.097653694 
Molar Refractivity 11.9079 cm3 Polarizability 5.355259 Å3
Polar Surface Area 74.27 Å2

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystalline expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3087 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
26/28-33-51/53 expand Show data source
Safety Statements
13-28-45-61 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H300-H330-H373-H411 expand Show data source
GHS Precautionary statements
P220-P260-P264-P273-P284-P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3087 5.1/PG 2 expand Show data source
Linear Formula
Tl(ClO4)3·xH2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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