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10048-98-3 molecular structure
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barium(2+) ion hydrogen phosphate

ChemBase ID: 150599
Molecular Formular: BaHO4P
Molecular Mass: 233.306301
Monoisotopic Mass: 233.86649214
SMILES and InChIs

SMILES:
OP(=O)([O-])[O-].[Ba+2]
Canonical SMILES:
[O-]P(=O)(O)[O-].[Ba+2]
InChI:
InChI=1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
InChIKey:
LYSTYSFIGYAXTG-UHFFFAOYSA-L

Cite this record

CBID:150599 http://www.chembase.cn/molecule-150599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion hydrogen phosphate
IUPAC Traditional name
barium(2+) ion hydrogen phosphate
Synonyms
Barium hydrogenphosphate
Barium phosphate dibasic
Barium phosphate, dibasic
Barium hydrogen phosphate
磷酸氢钡
磷酸钡 二元
磷酸氢钡
CAS Number
10048-98-3
EC Number
233-159-1
MDL Number
MFCD00003451
Merck Index
14990
PubChem SID
162244760
24858519
PubChem CID
6096957

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6096957 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 12.4085 cm3 Polarizability 5.685633 Å3
Polar Surface Area 83.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Melting Point
410°C dec. expand Show data source
Density
4.1^1^6 expand Show data source
European Hazard Symbols
X 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
German water hazard class
1 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
20/22 expand Show data source
Safety Statements
28 expand Show data source
TSCA Listed
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
GHS Precautionary statements
P261-P264-P304+P340-P301+P312-P312-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 1564 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
Linear Formula
BaHPO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 311391 external link
Packaging
50 g in glass bottle
Application
Reactant involved in hydrothermal synthesis of α-Ba2P2O71Reactant involved in synthesis of modified carbon paste electrode for determination of cadmium and lead via differential pulse anodic stripping voltammetry2Involved in studies of the temperature dependence of soft mode frequency, dielectric constant and loss tangent of crystals in an electric field3Reagent used to asses glucose-specific poly(allylamine) hydrogels4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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