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Ethyllithium
CAS: 811-49-4 | C2H5Li
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
811-49-4
Molecular Formula:
C2H5Li
Molecular Mass:
36.00 g/mol
Names and Synonyms:
Ethyllithium
Lithium, ethyl-
Ethyllithium
Identifiers:
SMILES:
[CH2]C.[Li]
InChI:
InChI=1S/C2H5.Li/c1-2;/h1H2,2H3;
Key Properties
Melting Point
95 °C
CAS Common Chemistry
Density
0.88 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 | 36.00 g/mol | CAS Common Chemistry |
| 36.003 g/mol | RDKit | |
| 36.055129709999996 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.883 g/cm3 @ Temp: 13 °C | CAS Common Chemistry | |
| Canonical SMILES | [Li]CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5.Li/c1-2;/h1H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=BLHLJVCOVBYQQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | Ethyllithium | 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 | 0.45958999999999994 | RDKit |
| Molar Refractivity | 16.785 | RDKit |
