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Molecule
Cryolite
CAS: 15096-52-3 · AlF6Na3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15096-52-3
- Molecular Formula
- AlF6Na3
- Molecular Mass
- 209.94000000000005 g/mol
Identifiers
CAS Registry Number
15096-52-3
SMILES
[Al+3].[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+]
InChI Key
REHXRBDMVPYGJX-UHFFFAOYSA-H
InChI
InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6
Names and Synonyms
- Cryolite Common Name
- Cryolite (Na3(AlF6)) Synonym
- Cryolite Synonym
- Kryocide Synonym
- Kryolith Synonym
- Kriolit Synonym
- Cryolite (AlNa3F6) Synonym
- Cryocide Synonym
- RTN-C Synonym
- Prokil Cryolite 96 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.95 g/cm³ | CAS Common Chemistry |
| 2.95 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na+].[F-][Al+3]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=REHXRBDMVPYGJX-UHFFFAOYSA-H | CAS Common Chemistry |
| Melting Point | 960-1027 °C | CAS Common Chemistry |
| Name | Cryolite | CAS Common Chemistry |
| Molecular Mass | 209.94000000000005 g/mol | RDKit |
| 209.94126578999996 g/mol | RDKit | |
| 209.94 g/mol | RDKit | |
| 222.036 g/mol | chempirical lib | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -27.344799999999996 | RDKit |
| -27.3448 | RDKit | |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 209.94 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 209.94 g/mol; density = 2.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula AlF6Na3.
