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543-80-6 molecular structure
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(acetyloxy)bario acetate

ChemBase ID: 151506
Molecular Formular: C4H6BaO4
Molecular Mass: 255.41504
Monoisotopic Mass: 255.93185567
SMILES and InChIs

SMILES:
CC(=O)O[Ba]OC(=O)C
Canonical SMILES:
CC(=O)O[Ba]OC(=O)C
InChI:
InChI=1S/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey:
ITHZDDVSAWDQPZ-UHFFFAOYSA-L

Cite this record

CBID:151506 http://www.chembase.cn/molecule-151506.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(acetyloxy)bario acetate
IUPAC Traditional name
barium acetate
Synonyms
Barium acetate
乙酸钡
CAS Number
543-80-6
EC Number
208-849-0
MDL Number
MFCD00012447
Beilstein Number
3693411
PubChem SID
24854631
24855494
162245659
PubChem CID
521500

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 521500 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.3134  LogD (pH = 7.4) -0.3134 
Log P -0.3134  Molar Refractivity 23.4322 cm3
Polarizability 15.544096 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder or crystals expand Show data source
white powder expand Show data source
pH
6.5-8.5 (25 °C, 50 mg/mL in H2O) expand Show data source
7.0-8.5 (25 °C, 50 mg/mL in H2O) expand Show data source
RTECS
AF4550000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
20/22 expand Show data source
Safety Statements
28 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H332 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (KT) expand Show data source
≥99.0% expand Show data source
≥99.0% (KT) expand Show data source
99% expand Show data source
99.0-102.0% (ACS specification) expand Show data source
99.999% trace metals basis expand Show data source
Grade
ACS reagent expand Show data source
JIS special grade expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
Impurities
≤0.005% oxidizers expand Show data source
≤0.01% insolubles expand Show data source
Cation Traces
Ca: ≤0.05% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤0.001% expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
K: ≤0.003% expand Show data source
K: ≤100 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: ≤0.005% expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤0.2% expand Show data source
Sr: ≤2000 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.001% expand Show data source
chloride (Cl-): ≤5 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
Linear Formula
(CH3COO)2Ba expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 255912 external link
Packaging
10, 50 g in poly bottle
Sigma Aldrich - 243671 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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