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Niobium(V) Chloride
CAS: 10026-12-7 | Cl5Nb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10026-12-7
Molecular Formula:
Cl5Nb
Molecular Mass:
270.17 g/mol
Names and Synonyms:
Niobium(V) Chloride
Niobium chloride (NbCl5)
Niobium pentachloride
Niobium chloride
Pentachloroniobium
Niobium pentachloride (NbCl5)
Niobium(V) chloride
Columbium pentachloride
Identifiers:
SMILES:
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5]
InChI:
InChI=1S/5ClH.Nb/h5*1H;/q;;;;;+5/p-5
Key Properties
Boiling Point
254 °C
CAS Common Chemistry
Melting Point
205-209.5 °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 | 270.17 g/mol | CAS Common Chemistry |
| 270.17100000000005 g/mol | RDKit | |
| 267.7506415 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Niobium(V)_chloride | CAS Common Chemistry |
| Boiling Point | 254 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Nb](Cl)(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/5ClH.Nb/h5*1H;/q;;;;;+5/p-5 | CAS Common Chemistry |
| InChI Key | InChIKey=YHBDIEWMOMLKOO-UHFFFAOYSA-I | CAS Common Chemistry |
| Melting Point | 205-209.5 °C | CAS Common Chemistry |
| Name | Niobium pentachloride | CAS Common Chemistry |
| Niobium(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 |
