Home > Compound List > Compound details
13762-83-9 molecular structure
click picture or here to close

barium(2+) ion dioxophosphinate

ChemBase ID: 150798
Molecular Formular: BaO6P2
Molecular Mass: 295.270922
Monoisotopic Mass: 295.82225798
SMILES and InChIs

SMILES:
[O-]P(=O)=O.[O-]P(=O)=O.[Ba+2]
Canonical SMILES:
[O-]P(=O)=O.[O-]P(=O)=O.[Ba+2]
InChI:
InChI=1S/Ba.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
InChIKey:
XNJIKBGDNBEQME-UHFFFAOYSA-L

Cite this record

CBID:150798 http://www.chembase.cn/molecule-150798.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion dioxophosphinate
IUPAC Traditional name
barium(2+) ion bis(trioxidophosphate(1-))
Synonyms
Barium phosphate
Barium metaphosphate
偏磷酸钡
CAS Number
13762-83-9
EC Number
237-362-6
MDL Number
MFCD00061417
PubChem SID
24867157
162244958
PubChem CID
16164194

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16164194 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.0  H Acceptors
H Donor LogD (pH = 5.5) -3.1719975 
LogD (pH = 7.4) -3.172  Log P -0.9082 
Molar Refractivity 11.1647 cm3 Polarizability 4.634388 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)
Solubility
aqueous acid: slightly soluble expand Show data source
H2O: insoluble expand Show data source
Insoluble in water. Soluble in acids by a slow dissolution expand Show data source
Apperance
powder expand Show data source
Powder expand Show data source
Melting Point
1560 °C(lit.) expand Show data source
1560°C 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
90+% expand Show data source
Linear Formula
Ba(PO3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 433918 external link
Packaging
250 g in glass bottle
50 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle