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Sodium Cyclopentadienide
CAS: 4984-82-1 | C5H5Na
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4984-82-1
Molecular Formula:
C5H5Na
Molecular Weight:
88.085 g/mol
Names and Synonyms:
Sodium Cyclopentadienide
Common Name
1,3-Cyclopentadiene, sodium salt (1:1)
Synonym
Cyclopentadienylsodium
Synonym
Sodium cyclopentadienylide
Synonym
Sodium cyclopentadienide
Synonym
2,4-Cyclopentadien-1-yl sodium
Synonym
Sodium, cyclopentadienyl-
Synonym
Sodium, 2,4-cyclopentadien-1-yl-
Synonym
Identifiers:
SMILES:
[CH]1C=CC=C1.[Na]
InChI:
InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.085 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.02889444 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.93589 | RDKit |
| molecular_mass | 88.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_cyclopentadienide None | Legacy Database |
| cas-canonical-smile | [Na]C1C=CC=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H; None | Legacy Database |
| cas-inchi-key | InChIKey=PDTZVKVFAJGNRV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 172 °C None | Legacy Database |
| cas-name | Sodium, 2,4-cyclopentadien-1-yl- None | Legacy Database |
| wikipedia-name | Sodium cyclopentadienide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.333999999999993 | RDKit |