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Chromyl Chloride
CAS: 14977-61-8 | Cl2CrO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14977-61-8
Molecular Formula:
Cl2CrO2
Molecular Weight:
154.9 g/mol
Names and Synonyms:
Chromyl Chloride
Chromium(VI) dioxychloride
Chromyl chloride (CrCl2O2)
Chromyl dichloride
Chromium oxychloride (CrCl2O2)
Chromium chloride oxide (CrCl2O2)
Chromium dichloride dioxide
Chromium oxide chloride (CrO2Cl2)
Chromium dioxide dichloride
Dichlorodioxochromium
Chromyl chloride (CrO2Cl2)
Chromium chloride oxide (CrO2Cl2)
Chromium oxychloride (CrO2Cl2)
(T-4)-Dichlorodioxochromium
Chromyl chloride
Chromium, dichlorodioxo-
Chromium, dichlorodioxo-, (T-4)-
Identifiers:
SMILES:
[Cl-].[Cl-].[Cr+2].[O].[O]
InChI:
InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.90 g/mol | Legacy Database |
| density | 1.91 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Chromyl_chloride | Legacy Database | |
| cas-boiling-point | 117 °C | Legacy Database | |
| cas-canonical-smile | O=[Cr](=O)(Cl)Cl | Legacy Database | |
| cas-density | 1.91 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2 | Legacy Database | |
| cas-inchi-key | InChIKey=AHXGRMIPHCAXFP-UHFFFAOYSA-L | Legacy Database | |
| cas-melting-point | -96.5 °C | Legacy Database | |
| cas-name | (T-4)-Dichlorodioxochromium | Legacy Database | |
| wikipedia-name | Chromyl chloride | Legacy Database | |
| LogP | -6.232100000000001 | RDKit | |
| Molecular | Molecular Weight | 154.9 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.8680421 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 57.0 Ų | RDKit |
| Molar | Molar Refractivity | 1.373 | RDKit |
