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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 Mass:
110.98 g/mol
Names and Synonyms:
Calcium Chloride
Calcium chloride (CaCl2)
Calcium chloride
Calcium dichloride
Calcosan
Liquidow
Stopit
U-Ramin MC
Calcium(2+) chloride
Daraccel
Dowflake
Peladow
Calol
Calzina oral
Bovikalc
Chrysoxel C 4
Calmate R
CalPlus
Intergravin-orales
Kalgan
Briners Choice
Identifiers:
SMILES:
[Ca+2].[Cl-].[Cl-]
InChI:
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
Key Properties
Boiling Point
1670 °C
CAS Common Chemistry
Melting Point
772 °C
CAS Common Chemistry
Density
2.15 g/cm³
CAS Common Chemistry
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 | 110.98 g/mol | CAS Common Chemistry |
| 110.98400000000001 g/mol | RDKit | |
| 109.90029634000001 g/mol | RDKit | |
| Density | 2.15 g/cm³ | CAS Common Chemistry |
| 2.152 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_chloride | CAS Common Chemistry |
| Boiling Point | 1670 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Ca]Cl | CAS Common Chemistry |
| InChI | InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=UXVMQQNJUSDDNG-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 772 °C | CAS Common Chemistry |
| Name | Calcium chloride | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -6.3728 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
