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Calcium Chloride
CAS: 10043-52-4 | CaCl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10043-52-4
Molecular Formula:
CaCl2
Molecular Weight:
110.98400000000001 g/mol
Names and Synonyms:
Calcium Chloride
Kalgan
Chrysoxel C 4
Calcium(2+) chloride
U-Ramin MC
Stopit
Calcosan
Briners Choice
Calcium chloride
Calcium chloride (CaCl2)
Calmate R
Bovikalc
Calol
Liquidow
Calcium dichloride
Intergravin-orales
CalPlus
Calzina oral
Peladow
Dowflake
Daraccel
Identifiers:
SMILES:
[Ca+2].[Cl-].[Cl-]
InChI:
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 110.98 g/mol | Legacy Database |
| density | 2.15 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_chloride None | Legacy Database |
| cas-boiling-point | 1670 °C None | Legacy Database |
| cas-canonical-smile | Cl[Ca]Cl None | Legacy Database |
| cas-density | 2.152 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=UXVMQQNJUSDDNG-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 772 °C None | Legacy Database |
| cas-name | Calcium chloride None | Legacy Database |
| wikipedia-name | Calcium chloride None | Legacy Database |
| LogP | -6.3728 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.98400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.90029634000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |
