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Molecule
Niobium(V) Chloride
CAS: 10026-12-7 · Cl5Nb
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10026-12-7
- Molecular Formula
- Cl5Nb
- Molecular Mass
- 270.17 g/mol
Identifiers
CAS Registry Number
10026-12-7
SMILES
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5]
InChI Key
YHBDIEWMOMLKOO-UHFFFAOYSA-I
InChI
InChI=1S/5ClH.Nb/h5*1H;/q;;;;;+5/p-5
Names and Synonyms
- Niobium(V) Chloride Common Name
- Niobium chloride (NbCl5) Synonym
- Niobium pentachloride Synonym
- Niobium chloride Synonym
- Pentachloroniobium Synonym
- Niobium pentachloride (NbCl5) Synonym
- Niobium(V) chloride Synonym
- Columbium pentachloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.17 g/mol | CAS Common Chemistry |
| 270.17100000000005 g/mol | RDKit | |
| 270.171 g/mol | RDKit | |
| 278.22 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 267.7506415 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 = 270.17 g/mol. Edit any field — others recompute live.
