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Molecule
Tantalum Pentafluoride
CAS: 7783-71-3 · F5Ta
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7783-71-3
- Molecular Formula
- F5Ta
- Molecular Mass
- 275.94 g/mol
Identifiers
CAS Registry Number
7783-71-3
SMILES
[F-].[F-].[F-].[F-].[F-].[Ta+5]
InChI Key
YRGLXIVYESZPLQ-UHFFFAOYSA-I
InChI
InChI=1S/5FH.Ta/h5*1H;/q;;;;;+5/p-5
Names and Synonyms
- Tantalum Pentafluoride Common Name
- Tantalum fluoride (TaF5) Synonym
- Tantalum pentafluoride Synonym
- Tantalum fluoride Synonym
- Tantalum(V) fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.94 g/mol | CAS Common Chemistry |
| 275.9400119 g/mol | RDKit | |
| 275.938 g/mol | RDKit | |
| 286.018 g/mol | chempirical lib | |
| Density | 4.74 g/cm³ | CAS Common Chemistry |
| 4.74 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tantalum_pentafluoride | CAS Common Chemistry |
| Boiling Point | 229-230 °C | CAS Common Chemistry |
| Canonical SMILES | F[Ta](F)(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/5FH.Ta/h5*1H;/q;;;;;+5/p-5 | CAS Common Chemistry |
| InChI Key | InChIKey=YRGLXIVYESZPLQ-UHFFFAOYSA-I | CAS Common Chemistry |
| Melting Point | 96-97 °C | CAS Common Chemistry |
| Name | Tantalum pentafluoride | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -14.9825 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 275.938 g/mol | RDKit |
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 = 275.94 g/mol; density = 4.740 g/mL. Edit any field — others recompute live.