Back to Search
Molecule
Chromium Trichloride Hexahydrate
CAS: 10060-12-5 · H12Cl3CrO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10060-12-5
- Molecular Formula
- H12Cl3CrO6
- Molecular Mass
- 266.45 g/mol
Identifiers
CAS Registry Number
10060-12-5
SMILES
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cr+3]
InChI Key
LJAOOBNHPFKCDR-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.Cr.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
Names and Synonyms
- Chromium Trichloride Hexahydrate Synonym
- Chromium chloride (CrCl3), hydrate (1:6) Synonym
- Chromium chloride (CrCl3), hexahydrate Synonym
- Chromic chloride hexahydrate Synonym
- Hexaaquachromium(III) chloride Synonym
- Chromium chloride hexahydrate Synonym
- Hexaaquachromium chloride Synonym
- Chromium trichloride hexahydrate Synonym
- Chromium(III) chloride hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | Cl[Cr](Cl)Cl.O | CAS Common Chemistry |
| Molecular Mass | 266.45 g/mol | CAS Common Chemistry |
| 266.445 g/mol | RDKit | |
| 271.476 g/mol | chempirical lib | |
| InChI | InChI=1S/3ClH.Cr.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=LJAOOBNHPFKCDR-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Chromium trichloride hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.0 Ų | RDKit |
| LogP | -13.938699999999995 | RDKit |
| -13.9387 | RDKit | |
| Molar Refractivity | 21.682799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 264.91045364400003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 266.45 g/mol. Edit any field — others recompute live.
