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Calcium Fluoride
CAS: 7789-75-5 | CaF2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-75-5
Molecular Formula:
CaF2
Molecular Weight:
78.07400000000001 g/mol
Names and Synonyms:
Calcium Fluoride
Common Name
Fluorite Powder Calcium Fluoride
Synonym
HO 100W
Synonym
Calcarea fluorica
Synonym
HO 100
Synonym
Calcium difluoride (CaF2)
Synonym
Calcium difluoride
Synonym
Irtran 3
Synonym
Calcium fluoride
Synonym
Calcium fluoride (CaF2)
Synonym
Identifiers:
SMILES:
[Ca+2].[F-].[F-]
InChI:
InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 78.07 g/mol | Legacy Database |
| density | 3.18 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_fluoride None | Legacy Database |
| cas-boiling-point | 2500 °C None | Legacy Database |
| cas-canonical-smile | F[Ca]F None | Legacy Database |
| cas-density | 3.18 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=WUKWITHWXAAZEY-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 1403 °C None | Legacy Database |
| cas-name | Calcium fluoride None | Legacy Database |
| wikipedia-name | Calcium fluoride None | Legacy Database |
| LogP | -6.3728 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 78.07400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 77.95939742000002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |