Back to Search
Sodium Trifluoroacetate
CAS: 2923-18-4 | C2HF3NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2923-18-4
Molecular Formula:
C2HF3NaO2
Molecular Weight:
137.01200000000003 g/mol
Names and Synonyms:
Sodium Trifluoroacetate
Acetic acid, 2,2,2-trifluoro-, sodium salt (1:1)
Acetic acid, trifluoro-, sodium salt
Sodium trifluoroacetate
Trifluoroacetic acid, sodium salt
Trifluoroacetate sodium
Sodium perfluoroacetate
Sodium trifluoromethanecarboxylate
Sodium 2,2,2-trifluoroacetate
Identifiers:
SMILES:
O=C(O)C(F)(F)F.[Na]
InChI:
InChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 137.01 g/mol | Legacy Database |
| density | 1.91 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_trifluoroacetate None | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)C(F)(F)F None | Legacy Database |
| cas-density | 1.907 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7); None | Legacy Database |
| cas-inchi-key | InChIKey=UKXIHEBXRGRYQF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 207 °C (decomp) None | Legacy Database |
| cas-name | Sodium trifluoroacetate None | Legacy Database |
| wikipedia-name | Sodium trifluoroacetate None | Legacy Database |
| LogP | 0.2525 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.01200000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.982633212 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.4448 | RDKit |
