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10294-38-9 molecular structure
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barium(2+) ion hydrate dichlorate

ChemBase ID: 150918
Molecular Formular: BaCl2H2O7
Molecular Mass: 322.24468
Monoisotopic Mass: 321.82300476
SMILES and InChIs

SMILES:
O.[O-][Cl](=O)=O.[O-][Cl](=O)=O.[Ba+2]
Canonical SMILES:
[O-][Cl](=O)=O.[O-][Cl](=O)=O.O.[Ba+2]
InChI:
InChI=1S/Ba.2ClHO3.H2O/c;2*2-1(3)4;/h;2*(H,2,3,4);1H2/q+2;;;/p-2
InChIKey:
CIADYQPMTWAHHH-UHFFFAOYSA-L

Cite this record

CBID:150918 http://www.chembase.cn/molecule-150918.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion hydrate dichlorate
IUPAC Traditional name
barium(2+) ion hydrate dichlorate
Synonyms
Barium chlorate monohydrate
氯酸钡 一水合物
一水合氯酸钡
CAS Number
10294-38-9
EC Number
236-760-7
MDL Number
MFCD00149147
PubChem SID
24854684
162245078
PubChem CID
6096944

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6096944 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -4.672161  H Acceptors
H Donor LogD (pH = 5.5) -2.3354366 
LogD (pH = 7.4) -2.3354366  Log P 0.040962167 
Molar Refractivity 10.465 cm3 Polarizability 4.606249 Å3
Polar Surface Area 57.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
414 °C(lit.) expand Show data source
Density
3.18 expand Show data source
3.18 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Oxidising Oxidising (O) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1445 expand Show data source
UN1445 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
9-20/22-51/53 expand Show data source
Safety Statements
13-27-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H271-H301-H331-H411-H401 expand Show data source
H271-H302 + H332-H411 expand Show data source
GHS Precautionary statements
P220-P273 expand Show data source
P221-P283-P210-P301+P310-P405-P501A 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 1445 5.1/PG 2 expand Show data source
Purity
≥99.0% (KT) expand Show data source
98% expand Show data source
Grade
purum p.a. expand Show data source
Cation Traces
Ca: ≤50 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: ≤3000 mg/kg expand Show data source
Na: ≤5000 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤1000 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤5000 mg/kg expand Show data source
Linear Formula
Ba(ClO3)2·H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 244554 external link
Other Notes
Hydration may vary slightly
Packaging
500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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