Back to Search
Aluminium Chloride
CAS: 7446-70-0 | AlCl3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7446-70-0
Molecular Formula:
AlCl3
Molecular Weight:
133.341 g/mol
Names and Synonyms:
Aluminium Chloride
Hemostop
Takibine 100
Hemogin L
NSC 143016
NSC 143015
Lutan FN
TK Flock
Aluminum(III) chloride
Trichloroaluminum
Aluminium trichloride
Aluminium chloride
Aluminum trichloride
Aluminum chloride
Aluminum chloride (AlCl3)
Identifiers:
SMILES:
[Al+3].[Cl-].[Cl-].[Cl-]
InChI:
InChI=1S/Al.3ClH/h;3*1H/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 133.34 g/mol | Legacy Database |
| density | 2.48 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aluminium_chloride None | Legacy Database |
| cas-boiling-point | 182.7 °C @ Press: 752 Torr None | Legacy Database |
| cas-canonical-smile | Cl[Al](Cl)Cl None | Legacy Database |
| cas-density | 2.48 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=VSCWAEJMTAWNJL-UHFFFAOYSA-K None | Legacy Database |
| cas-melting-point | 192.6 °C None | Legacy Database |
| cas-name | Aluminum chloride None | Legacy Database |
| wikipedia-name | Aluminium chloride None | Legacy Database |
| LogP | -9.3688 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.341 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.88809666999998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 |
