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Molecule
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 Mass
- 154.90 g/mol
Identifiers
CAS Registry Number
14977-61-8
SMILES
[Cl-].[Cl-].[Cr+2].[O].[O]
InChI Key
AHXGRMIPHCAXFP-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2
Names and Synonyms
- Chromyl Chloride Common Name
- Chromium, dichlorodioxo-, (T-4)- Synonym
- Chromium, dichlorodioxo- Synonym
- Chromyl chloride Synonym
- (T-4)-Dichlorodioxochromium Synonym
- Chromium oxychloride (CrO2Cl2) Synonym
- Chromium chloride oxide (CrO2Cl2) Synonym
- Chromyl chloride (CrO2Cl2) Synonym
- Dichlorodioxochromium Synonym
- Chromium dioxide dichloride Synonym
- Chromium oxide chloride (CrO2Cl2) Synonym
- Chromium dichloride dioxide Synonym
- Chromium chloride oxide (CrCl2O2) Synonym
- Chromium oxychloride (CrCl2O2) Synonym
- Chromyl dichloride Synonym
- Chromyl chloride (CrCl2O2) Synonym
- Chromium(VI) dioxychloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.90 g/mol | CAS Common Chemistry |
| 154.9 g/mol | RDKit | |
| 162.958 g/mol | chempirical lib | |
| Density | 1.91 g/cm³ | CAS Common Chemistry |
| 1.91 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromyl_chloride | CAS Common Chemistry |
| Boiling Point | 117 °C | CAS Common Chemistry |
| Canonical SMILES | O=[Cr](=O)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=AHXGRMIPHCAXFP-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | -96.5 °C | CAS Common Chemistry |
| Name | (T-4)-Dichlorodioxochromium | 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 |
| -6.2321 | RDKit | |
| Molar Refractivity | 1.373 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 153.8680421 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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MW = 154.90 g/mol; density = 1.910 g/mL. Edit any field — others recompute live.
