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Chrome Alum
CAS: 10141-00-1 | H2CrKO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10141-00-1
Molecular Formula:
H2CrKO4S
Molecular Mass:
189.17 g/mol
Names and Synonyms:
Chrome Alum
Sulfuric acid, chromium(3+) potassium salt (2:1:1)
Potassium chromium alum
Chromium potassium sulfate (CrK(SO4)2)
Chromic potassium sulfate
Potassium chromium sulfate (KCr(SO4)2)
Chrome alum
Chrome potash alum
Chromium potassium sulfate
Chromium potassium disulfate
Chromium potassium alum
Potassium chromium disulfate(kcr(so4)2)
Chromium potassium bis(sulfate)
Identifiers:
SMILES:
O=S(=O)(O)O.[Cr].[K]
InChI:
InChI=1S/Cr.K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)
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 | 189.17 g/mol | CAS Common Chemistry |
| 189.173 g/mol | RDKit | |
| 188.871593724 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chrome_alum | CAS Common Chemistry |
| Canonical SMILES | [K].[Cr].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Cr.K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=YDHSAGLAXHZWGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chromium potassium sulfate | CAS Common Chemistry |
| Chrome alum | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| LogP | -1.0360999999999998 | RDKit |
| Molar Refractivity | 19.9314 | RDKit |
