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69102-74-5 molecular structure
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barium(2+) ion hydrate diperchlorate

ChemBase ID: 150507
Molecular Formular: BaCl2H2O9
Molecular Mass: 354.24348
Monoisotopic Mass: 353.812834
SMILES and InChIs

SMILES:
O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Ba+2]
Canonical SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.[Ba+2]
InChI:
InChI=1S/Ba.2ClHO4.H2O/c;2*2-1(3,4)5;/h;2*(H,2,3,4,5);1H2/q+2;;;/p-2
InChIKey:
QFLSNJWWQIFSOQ-UHFFFAOYSA-L

Cite this record

CBID:150507 http://www.chembase.cn/molecule-150507.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion hydrate diperchlorate
IUPAC Traditional name
barium(2+) ion hydrate diperchlorate
Synonyms
Barium perchlorate hydrate
高氯酸钡 水合物
CAS Number
69102-74-5
EC Number
236-710-4
MDL Number
MFCD00149149
PubChem SID
24847355
24861061
162244668
PubChem CID
16211221

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211221 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
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 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystals expand Show data source
Refractive Index
n20/D 1.533(lit.) expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1447 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
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
9-20/22 expand Show data source
Safety Statements
27 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H271-H302-H332 expand Show data source
GHS Precautionary statements
P220 expand Show data source
Personal Protective Equipment
Eyeshields, 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 1447 5.1/PG 2 expand Show data source
Purity
≥99.0% expand Show data source
≥99.0% (KT) expand Show data source
98% expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤500 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride, chlorate (as Cl-): ≤200 mg/kg expand Show data source
Linear Formula
Ba(ClO4)2 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 342394 external link
Packaging
250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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