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Molecule
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
Identifiers
CAS Registry Number
7727-18-6
SMILES
[Cl-].[Cl-].[Cl-].[O].[V+3]
InChI Key
JBIQAPKSNFTACH-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3
Names and Synonyms
- Vanadium Oxytrichloride Synonym
- Vanadium, trichlorooxo-, (T-4)- Synonym
- Vanadium, trichlorooxo- Synonym
- (T-4)-Trichlorooxovanadium Synonym
- Vanadium oxychloride Synonym
- Vanadium oxytrichloride Synonym
- Vanadyl trichloride Synonym
- Vanadium chloride oxide (VOCl3) Synonym
- Vanadyl chloride (VOCl3) Synonym
- Vanadyl chloride Synonym
- Trichlorooxovanadium Synonym
- Vanadium(V) oxytrichloride Synonym
- Vanadium oxide trichloride Synonym
- Vanadium trichloride oxide Synonym
- Vanadium chloride oxide (VCl3O) Synonym
- Vanadium monoxide trichloride Synonym
- Vanadium trichloride monooxide Synonym
- Vanadium trichloride monoxide Synonym
- Trichlorovanadium oxide Synonym
- Trichlorooxovanadium(V) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.30 g/mol | CAS Common Chemistry |
| 173.30200000000002 g/mol | RDKit | |
| 173.302 g/mol | RDKit | |
| 180.347 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 171.84543216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 173.30 g/mol; density = 1.830 g/mL. Edit any field — others recompute live.
