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7787-32-8 molecular structure
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7787-32-8 molecular structure
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barium(2+) ion difluoride

ChemBase ID: 93498
Molecular Formular: BaF2
Molecular Mass: 175.3238064
Monoisotopic Mass: 175.90205344
SMILES and InChIs

SMILES:
 [Ba+2].[F-].[F-]
Canonical SMILES:
 [F-].[F-].[Ba+2]
InChI:
 InChI=1S/Ba.2FH/h;2*1H/q+2;;/p-2
InChIKey:
 OYLGJCQECKOTOL-UHFFFAOYSA-L

Cite this record

CBID:93498 http://www.chembase.cn/molecule-93498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion difluoride
IUPAC Traditional name
barium(2+) difluoride
barium(2+) ion difluoride
Synonyms
Barium fluoride 99.99%
Barium fluoride, Puratronic®
Barium fluoride, Optical Grade
Barium fluoride, ultra dry
Barium fluoride
BARIUM FLUORIDE, OPTICAL GRADE
Barium fluoride
Barium fluoride 99%
氟化钡, Puratronic®
氟化钡,光学级
氟化钡, 超干
氟化钡
CAS Number
7787-32-8
EC Number
232-108-0
MDL Number
MFCD00003450
Merck Index
14974
PubChem SID
162080183
PubChem CID
5463523
62670
Chemspider ID
56421
Wikipedia Title
Barium_fluoride

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
MP Biomedicals 05205097 external link Add to cart
Alfa Aesar 36380 external link Add to cart 38610 external link Add to cart 12338 external link Add to cart 14057 external link Add to cart 10647 external link Add to cart
Apollo Scientific PC1170 external link Add to cart PC0897 external link Add to cart
Wikipedia Barium_fluoride external link
PubChem 5463523 external link
Data Source Data ID Price
MP Biomedicals
05205097 external link Add to cart Please log in.
Alfa Aesar
36380 external link Add to cart Please log in.
38610 external link Add to cart Please log in.
12338 external link Add to cart Please log in.
14057 external link Add to cart Please log in.
10647 external link Add to cart Please log in.
Apollo Scientific
PC1170 external link Add to cart Please log in.
PC0897 external link Add to cart Please log in.
Data Source Data ID
Wikipedia Barium_fluoride external link
PubChem 5463523 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.17  H Acceptors 0 
H Donor 0  LogD (pH = 5.5) 0.3684526 
LogD (pH = 7.4) 0.36924794  Log P 0.14883864 
Molar Refractivity 0.8725 cm3 Polarizability 0.45069772 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds 0 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.16 g/100 mL (20 °C) in water expand Show data source
Soluble in HCl, HNO3, HF, and aqueous solutions of ammonium chloride expand Show data source
soluble in methanol, ethanol expand Show data source
Apperance
3-6mm Fused Lump expand Show data source
-40 Mesh Powder expand Show data source
Broken Crystals expand Show data source
Powder expand Show data source
Powder, Ampouled under argon expand Show data source
white cubic crystals expand Show data source
Melting Point
1280°C expand Show data source
1353°C expand Show data source
1368 °C expand Show data source
Boiling Point
2260 °C expand Show data source
2260°C expand Show data source
2260°C expand Show data source
Flash Point
Non-flammable expand Show data source
Density
4.83 expand Show data source
4.89 expand Show data source
4.893 g/cm3 expand Show data source
Refractive Index
1.455 expand Show data source
1.4741 expand Show data source
Storage Warning
Hygroscopic expand Show data source
Toxic expand Show data source
RTECS
CQ9100000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN1564 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/22 expand Show data source
R:20/22 expand Show data source
R20/22 expand Show data source
Safety Statements
28 expand Show data source
S:28 expand Show data source
S2, S28 expand Show data source
TSCA Listed
是 expand Show data source
EU Index
056-002-00-7 expand Show data source
GHS Pictograms
GHS07 expand Show data source
NFPA704
NFPA 704 diagram
0
3
0
 expand Show data source
LD50
250 mg/kg, oral (rat) 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
Purity
99% expand Show data source
99.9% (metals basis) expand Show data source
99.99% (metals basis) expand Show data source
99.998% (metals basis) expand Show data source
Grade
OPTICAL expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 05205097 external link
MP Biomedicals Rare Chemical collection
Wikipedia.org - Barium_fluoride external link

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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