Back to Search
Thallium(Iii) Trifluoroacetate
CAS: 23586-53-0 | C2HF3O2Tl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23586-53-0
Molecular Formula:
C2HF3O2Tl
Molecular Mass:
318.41 g/mol
Names and Synonyms:
Thallium(Iii) Trifluoroacetate
Acetic acid, 2,2,2-trifluoro-, thallium(3+) salt (3:1)
Acetic acid, trifluoro-, thallium(3+) salt
Thallium(III) trifluoroacetate
Thallium tris(trifluoroacetate)
Tris(trifluoroacetato)thallium
Thallic trifluoroacetate
Identifiers:
SMILES:
O=C(O)C(F)(F)F.[Tl]
InChI:
InChI=1S/C2HF3O2.Tl/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.41 g/mol | CAS Common Chemistry |
| 318.40500000000003 g/mol | RDKit | |
| 318.967291432 g/mol | RDKit | |
| Canonical SMILES | [Tl].O=C(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2HF3O2.Tl/c3-2(4,5)1(6)7;/h(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=QGLVSUMFDCLRPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Thallium(III) trifluoroacetate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.2525 | RDKit |
| Molar Refractivity | 19.4448 | RDKit |
