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10326-27-9 molecular structure
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barium(2+) ion dihydrate dichloride

ChemBase ID: 105577
Molecular Formular: BaCl2O2
Molecular Mass: 240.2318
Monoisotopic Mass: 239.8327816
SMILES and InChIs

SMILES:
O.O.[Cl-].[Cl-].[Ba+2]
Canonical SMILES:
O.O.[Cl-].[Cl-].[Ba+2]
InChI:
InChI=1S/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
InChIKey:
PWHCIQQGOQTFAE-UHFFFAOYSA-L

Cite this record

CBID:105577 http://www.chembase.cn/molecule-105577.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion dihydrate dichloride
IUPAC Traditional name
barium(2+) ion dihydrate dichloride
barium(2+) dihydrate dichloride
Synonyms
Barium chloride dihydrate, Puratronic®
BARIUM CHLORIDE DIHYDRATE ACS REAGENT GRADE
Barium chloride dihydrate, ACS
二水合氯酸钡, Puratronic®
二水合氯化钡, ACS
CAS Number
10326-27-9
EC Number
233-788-1
MDL Number
MFCD00149154
Merck Index
14971
PubChem SID
162092693
PubChem CID
5284346

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5284346 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors
H Donor LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 3.7 cm3 Polarizability 1.4714895 Å3
Polar Surface Area 25.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Very soluble in water. Soluble in methanol. Insoluble in ethanol, acetone, ethyl acetate expand Show data source
Apperance
Crystalline expand Show data source
Powder expand Show data source
Melting Point
113°C -2H{2}O expand Show data source
Density
3.097 expand Show data source
3.097 g/ml expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
CQ8751000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1564 expand Show data source
UN1564 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2Z expand Show data source
Risk Statements
20-25 expand Show data source
R:20/22 expand Show data source
Safety Statements
45 expand Show data source
S:28 expand Show data source
EU Classification
T5 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H331 expand Show data source
GHS Precautionary statements
P261-P301+P310-P321-P304+P340-P405-P501A expand Show data source
Purity
99.999% (metals basis) expand Show data source
Grade
ACS expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02191410 external link
Dihydrate
ACS Reagent Grade
Crystalline

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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