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Molybdenum Dichloride Dioxide
CAS: 13637-68-8 | Cl2MoO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13637-68-8
Molecular Formula:
Cl2MoO2
Molecular Mass:
198.84 g/mol
Names and Synonyms:
Molybdenum Dichloride Dioxide
Molybdenum chloride oxide (MoCl2O2), (T-4)-
Molybdenum chloride oxide (MoO2Cl2)
Molybdenum chloride (MoO2Cl2)
Molybdenum dioxide dichloride
Molybdenum dioxychloride
Molybdenum dichloride dioxide
Molybdenum oxychloride (MoO2Cl2)
Molybdyl chloride
Dichlorodioxomolybdenum
Molybdenum chloride oxide (MoCl2O2)
Dichlorodioxomolybdenum(VI)
Molybdenum dioxodichloride
Identifiers:
SMILES:
[Cl-].[Cl-].[Mo+2].[O].[O]
InChI:
InChI=1S/2ClH.Mo.2O/h2*1H;;;/q;;+2;;/p-2
Key Properties
Melting Point
298 °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 | 198.84 g/mol | CAS Common Chemistry |
| 198.844 g/mol | RDKit | |
| 199.8329428 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Molybdenum_dichloride_dioxide | CAS Common Chemistry |
| Canonical SMILES | O=[Mo](=O)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Mo.2O/h2*1H;;;/q;;+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCFNAADCQWXIJD-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 298 °C | CAS Common Chemistry |
| Name | Molybdenum chloride oxide (MoCl2O2), (T-4)- | CAS Common Chemistry |
| Molybdenum dichloride dioxide | 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 | 57.0 Ų | RDKit |
| LogP | -6.232100000000001 | RDKit |
| Molar Refractivity | 1.373 | RDKit |
