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Molecule
Lithium Chloride
CAS: 7447-41-8 · ClLi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7447-41-8
- Molecular Formula
- ClLi
- Molecular Mass
- 42.39 g/mol
Identifiers
CAS Registry Number
7447-41-8
SMILES
[Cl-].[Li+]
InChI Key
KWGKDLIKAYFUFQ-UHFFFAOYSA-M
InChI
InChI=1S/ClH.Li/h1H;/q;+1/p-1
Names and Synonyms
- Lithium Chloride Common Name
- Lithium chloride (LiCl) Synonym
- Lithium chloride Synonym
- Lithium monochloride Synonym
- NSC 327172 Synonym
- Lithium Chloride Solution N Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 42.39 g/mol | CAS Common Chemistry |
| 42.394000000000005 g/mol | RDKit | |
| 42.394 g/mol | RDKit | |
| 44.407 g/mol | chempirical lib | |
| Density | 2.07 g/cm³ | CAS Common Chemistry |
| 2.07 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_chloride | CAS Common Chemistry |
| Boiling Point | 1360 °C | CAS Common Chemistry |
| Canonical SMILES | [Li]Cl | CAS Common Chemistry |
| InChI | InChI=1S/ClH.Li/h1H;/q;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=KWGKDLIKAYFUFQ-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 613 °C | CAS Common Chemistry |
| Name | Lithium chloride | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | -5.992 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 41.984857229999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 42.39 g/mol; density = 2.070 g/mL. Edit any field — others recompute live.