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Tantalum(V) Chloride
CAS: 7721-01-9 | Cl5Ta
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7721-01-9
Molecular Formula:
Cl5Ta
Molecular Mass:
358.21 g/mol
Names and Synonyms:
Tantalum(V) Chloride
Tantalum chloride (TaCl5)
Tantalum pentachloride
Pentachlorotantalum
Tantalum pentachloride (TaCl5)
Tantalum chloride
Tantalum(V) chloride
Identifiers:
SMILES:
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+5]
InChI:
InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5
Key Properties
Boiling Point
233 °C
CAS Common Chemistry
Melting Point
216.5-220 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.21 g/mol | CAS Common Chemistry |
| 358.213 g/mol | RDKit | |
| 355.7922592 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tantalum(V)_chloride | CAS Common Chemistry |
| Boiling Point | 233 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Ta](Cl)(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5 | CAS Common Chemistry |
| InChI Key | InChIKey=OEIMLTQPLAGXMX-UHFFFAOYSA-I | CAS Common Chemistry |
| Melting Point | 216.5-220 °C | CAS Common Chemistry |
| Name | Tantalum pentachloride | CAS Common Chemistry |
| Tantalum(V) chloride | 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 | RDKit |
