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15978-68-4 molecular structure
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calcium bis(tetrafluoroboranuide)

ChemBase ID: 8038
Molecular Formular: B2CaF8
Molecular Mass: 213.6872256
Monoisotopic Mass: 213.96842754
SMILES and InChIs

SMILES:
F[B-](F)(F)F.F[B-](F)(F)F.[Ca+2]
Canonical SMILES:
F[B-](F)(F)F.F[B-](F)(F)F.[Ca+2]
InChI:
InChI=1S/2BF4.Ca/c2*2-1(3,4)5;/q2*-1;+2
InChIKey:
YHLNCCJTKRTQEG-UHFFFAOYSA-N

Cite this record

CBID:8038 http://www.chembase.cn/molecule-8038.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
calcium bis(tetrafluoroboranuide)
IUPAC Traditional name
calcium ditetrafluoroborate
Synonyms
Calcium tetrafluoroborate hydrate
Calcium tetrafluoroborate
四氟硼酸钙水和物
CAS Number
15978-68-4
MDL Number
MFCD00015972
PubChem SID
160971345
PubChem CID
6096284

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6096284 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.13  LogD (pH = 7.4) -1.13 
Log P -1.13  Molar Refractivity 6.0052 cm3
Polarizability 3.1085358 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Storage Warning
CORROSIVE expand Show data source
Hygroscopic expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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