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Molecule
Chromium(Iii) Iodide
CAS: 13569-75-0 · CrI3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13569-75-0
- Molecular Formula
- CrI3
- Molecular Mass
- 432.71 g/mol
Identifiers
CAS Registry Number
13569-75-0
SMILES
[Cr+3].[I-].[I-].[I-]
InChI Key
PPUZYFWVBLIDMP-UHFFFAOYSA-K
InChI
InChI=1S/Cr.3HI/h;3*1H/q+3;;;/p-3
Names and Synonyms
- Chromium(Iii) Iodide Common Name
- Chromium iodide (CrI3) Synonym
- Chromium triiodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 432.71 g/mol | CAS Common Chemistry |
| 432.70799999999997 g/mol | RDKit | |
| 432.708 g/mol | RDKit | |
| 437.748 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromium(III)_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Cr](I)I | CAS Common Chemistry |
| InChI | InChI=1S/Cr.3HI/h;3*1H/q+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=PPUZYFWVBLIDMP-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Chromium iodide (CrI3) | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -8.9905 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 432.6539265 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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.
External Resources
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MW = 432.71 g/mol. Edit any field — others recompute live.
