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Molecule
Methyllithium
CAS: 917-54-4 · CH3Li
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 917-54-4
- Molecular Formula
- CH3Li
- Molecular Mass
- 21.98 g/mol
Identifiers
CAS Registry Number
917-54-4
SMILES
[CH3].[Li]
InChI Key
DVSDBMFJEQPWNO-UHFFFAOYSA-N
InChI
InChI=1S/CH3.Li/h1H3;
Names and Synonyms
- Methyllithium Synonym
- Lithium, methyl- Synonym
- Methyllithium Synonym
- Lithium methide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 21.98 g/mol | CAS Common Chemistry |
| 22.039479645999997 g/mol | RDKit | |
| 21.976 g/mol | RDKit | |
| 22.984 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyllithium | CAS Common Chemistry |
| Canonical SMILES | [Li]C | CAS Common Chemistry |
| InChI | InChI=1S/CH3.Li/h1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=DVSDBMFJEQPWNO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70-71 °C | CAS Common Chemistry |
| Name | Methyllithium | 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 | 0.06948999999999994 | RDKit |
| 0.0695 | RDKit | |
| Molar Refractivity | 12.168000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 21.976 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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 = 21.98 g/mol. Edit any field — others recompute live.
