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Molecule

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
36.003 g/mol

Identifiers

CAS Registry Number

811-49-4

SMILES

[CH2]C.[Li]

InChI Key

BLHLJVCOVBYQQS-UHFFFAOYSA-N

InChI

InChI=1S/C2H5.Li/c1-2;/h1H2,2H3;

Names and Synonyms

  • Ethyllithium Synonym
  • Lithium, ethyl- Synonym
  • Ethyllithium Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Density 0.88 g/cm³ CAS Common Chemistry
0.883 g/cm3 @ 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
Molecular Mass 36.003 g/mol RDKit
36.055129709999996 g/mol RDKit
37.011 g/mol chempirical lib
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
0.4596 RDKit
Molar Refractivity 16.785 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.5 RDKit
Exact Mass 36.00 g/mol CAS Common Chemistry

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration 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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Quick conversion

MW = 36.00 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.

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