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Molecule
Copper Chloride Dihydrate
CAS: 10125-13-0 · H4Cl2CuO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10125-13-0
- Molecular Formula
- H4Cl2CuO2
- Molecular Mass
- 170.48 g/mol
Identifiers
CAS Registry Number
10125-13-0
SMILES
O.O.[Cl-].[Cl-].[Cu+2]
InChI Key
MPTQRFCYZCXJFQ-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.Cu.2H2O/h2*1H;;2*1H2/q;;+2;;/p-2
Names and Synonyms
- Copper Chloride Dihydrate Common Name
- Copper chloride (CuCl2), dihydrate Synonym
- Cupric chloride dihydrate Synonym
- Copper dichloride dihydrate Synonym
- Copper chloride (CuCl2.2H2O) Synonym
- Copper chloride dihydrate Synonym
- Copper(II) chloride dihydrate Synonym
- Copper(2+) dichloride dihydrate Synonym
- Copper chloride (CuCl2), hydrate (1:2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.48 g/mol | CAS Common Chemistry |
| 170.482 g/mol | RDKit | |
| 173.5 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Cu]Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Cu.2H2O/h2*1H;;2*1H2/q;;+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=MPTQRFCYZCXJFQ-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Copper chloride dihydrate | 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 | 63.0 Ų | RDKit |
| LogP | -7.6438999999999995 | RDKit |
| -7.6439 | RDKit | |
| Molar Refractivity | 7.227599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 168.888432228 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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
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MW = 170.48 g/mol. Edit any field — others recompute live.
