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Ruthenium Trichloride Hydrate
CAS: 14898-67-0 | H2Cl3ORu
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14898-67-0
Molecular Formula:
H2Cl3ORu
Molecular Mass:
225.44 g/mol
Names and Synonyms:
Ruthenium Trichloride Hydrate
Ruthenium chloride (RuCl3), hydrate
Ruthenium(III) chloride hydrate
Ruthenium trichloride hydrate
Ruthenium chloride hydrate
Identifiers:
SMILES:
O.[Cl-].[Cl-].[Cl-].[Ru+3]
InChI:
InChI=1S/3ClH.H2O.Ru/h3*1H;1H2;/q;;;;+3/p-3
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 | 225.44 g/mol | CAS Common Chemistry |
| 225.44400000000002 g/mol | RDKit | |
| 224.821472024 g/mol | RDKit | |
| Canonical SMILES | Cl[Ru](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.H2O.Ru/h3*1H;1H2;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=BIXNGBXQRRXPLM-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Ruthenium trichloride hydrate | 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 | 31.5 Ų | RDKit |
| LogP | -9.815199999999999 | RDKit |
| Molar Refractivity | 3.6138 | RDKit |
