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7789-75-5 molecular structure
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calcium difluoride

ChemBase ID: 94331
Molecular Formular: CaF2
Molecular Mass: 78.0748064
Monoisotopic Mass: 77.95939742
SMILES and InChIs

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

Cite this record

CBID:94331 http://www.chembase.cn/molecule-94331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
calcium difluoride
IUPAC Traditional name
calcium(2+) difluoride
calcium difluoride
Synonyms
Calcium(II) fluoride, precipitated
Calcium fluoride, precipitated
Calcium fluoride, Puratronic®
Calcium fluoride, Reagent Grade
Calcium fluoride, Vacuum Deposition Grade
Calcium fluoride, ultra dry
Calcium fluoride sputtering target, 12.7mm (0.5in) dia x 2.5mm (0.098in) thick
Calcium fluoride (naturally occurring mineral)
Fluorite, naturally occurring mineral, approximately 1.5-4.8mm (0.06-0.19in)
Calcium(II) fluoride, anhydrous 99.9%
CALCIUM FLUORIDE, OPTICAL GRADE
Calcium fluoride
Fluorite
Fluorspar
Calcium fluoride
氟化钙,沉淀物
氟化钙, Puratronic®
氟化钙, 试剂级
氟化钙, 真空沉积级
氟化钙,超干
氟化钙溅射靶, 12.7mm (0.5in) 直径 x 2.5mm (0.098in) 厚
萤石, 天然矿物, 大约 0.06-0.19in
氟石
氟化钙
CAS Number
7789-75-5
14542-23-5
EC Number
238-575-7
232-188-7
MDL Number
MFCD00010907
Merck Index
141667
PubChem SID
24845213
162080985
PubChem CID
84512
24617
CHEBI ID
35437
Chemspider ID
23019
Unique Ingredient Identifier
O3B55K4YKI
Wikipedia Title
Calcium_fluoride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.57  LogD (pH = 7.4) -0.57 
Log P -0.57  Molar Refractivity 0.0 cm3
Polarizability 2.7365203 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 3.09 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.0015 g/100 mL (18 °C)
0.0016 g/100 mL (20 °C) in water
expand Show data source
insoluble in acetone
slightly soluble in acid
expand Show data source
Insoluble in water. Soluble in ammonium salts. Soluble in conc. mineral acids with evolution of HF expand Show data source
Apperance
-325 Mesh Powder expand Show data source
3-6mm Pieces (melted) expand Show data source
Grains expand Show data source
Powder expand Show data source
Powder, Ampouled under argon expand Show data source
Transparent Crystals expand Show data source
White crystalline solid (single crystals are transparent) expand Show data source
Melting Point
1360°C expand Show data source
1402°C expand Show data source
1403°C expand Show data source
1418°C expand Show data source
Boiling Point
2500 °C(lit.) expand Show data source
2513°C expand Show data source
2533°C expand Show data source
2786°C expand Show data source
ca 2500°C expand Show data source
Flash Point
Non-flammable expand Show data source
Density
3.18 expand Show data source
3.18 g/cm3 expand Show data source
3.18 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4338 expand Show data source
1.434 expand Show data source
Solubility Product (Ksp)
3.9 x 10-11 expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant/Hygroscopic expand Show data source
RTECS
EW1760000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36/37/38 expand Show data source
R20, R22, R36, R37, R38 expand Show data source
Safety Statements
26 expand Show data source
26-37 expand Show data source
26-37-60 expand Show data source
S26, S36 expand Show data source
TSCA Listed
expand Show data source
EU Index
Not listed expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
Main Hazard
Reacts with conc. sulfuric acid to enhance hydrofluoric acid expand Show data source
NFPA704
NFPA 704 diagram
0
0
0
expand Show data source
LD50
4250 mg/kg (oral, rat) expand Show data source
GHS Hazard statements
H303 expand Show data source
H315-H319-H335 expand Show data source
H315-H319-H335-H303 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P312 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥95% expand Show data source
97% expand Show data source
99% expand Show data source
99.5% (metals basis) expand Show data source
99.9% (metals basis) expand Show data source
99.95% (metals basis) expand Show data source
99.985% (metals basis) expand Show data source
99.99% (metals basis) expand Show data source
Grade
OPTICAL expand Show data source
Certificate of Analysis
Download expand Show data source
Cation Traces
As: ≤20 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤1000 mg/kg expand Show data source
Loss on Drying
≤0.1% loss on drying, 105°C expand Show data source
Quality
natural expand Show data source
Appearance
powder expand Show data source
Empirical Formula (Hill Notation)
CaF2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Wikipedia Wikipedia
MP Biomedicals - 05207815 external link
MP Biomedicals Rare Chemical collection
Apollo Scientific Ltd - PC1640 external link
A useful fluorinating reagent in combination with KF, for alkyl halide to fluoride conversions. Enquire for reference.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • In combination with KF, is a useful fluorinating agent for conversion of other alkyl halides to fluorides: J. Chem. Soc., Chem. Commun., 793 (1986).
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PATENTS

PATENTS

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INTERNET

INTERNET

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