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Vanadium Oxytrichloride
CAS: 7727-18-6 | Cl3OV
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7727-18-6
Molecular Formula:
Cl3OV
Molecular Mass:
173.30 g/mol
Names and Synonyms:
Vanadium Oxytrichloride
Vanadium, trichlorooxo-, (T-4)-
Vanadium, trichlorooxo-
(T-4)-Trichlorooxovanadium
Vanadium oxychloride
Vanadium oxytrichloride
Vanadyl trichloride
Vanadium chloride oxide (VOCl3)
Vanadyl chloride (VOCl3)
Vanadyl chloride
Trichlorooxovanadium
Vanadium(V) oxytrichloride
Vanadium oxide trichloride
Vanadium trichloride oxide
Vanadium chloride oxide (VCl3O)
Vanadium monoxide trichloride
Vanadium trichloride monooxide
Vanadium trichloride monoxide
Trichlorovanadium oxide
Trichlorooxovanadium(V)
Identifiers:
SMILES:
[Cl-].[Cl-].[Cl-].[O].[V+3]
InChI:
InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3
Key Properties
Boiling Point
126-127 °C
CAS Common Chemistry
Melting Point
-77 °C
CAS Common Chemistry
Density
1.83 g/cm³
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 | 173.30 g/mol | CAS Common Chemistry |
| 173.30200000000002 g/mol | RDKit | |
| 171.84543216 g/mol | RDKit | |
| Density | 1.83 g/cm³ | CAS Common Chemistry |
| 1.829 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vanadium_oxytrichloride | CAS Common Chemistry |
| Boiling Point | 126-127 °C | CAS Common Chemistry |
| Canonical SMILES | O=[V](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=JBIQAPKSNFTACH-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | -77 °C | CAS Common Chemistry |
| Name | Vanadium oxytrichloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -9.1093 | RDKit |
| Molar Refractivity | 0.6865 | RDKit |
