Back to Search
Molecule
Zinc Triflate
CAS: 54010-75-2 · CHF3O3SZn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 54010-75-2
- Molecular Formula
- CHF3O3SZn
- Molecular Mass
- 215.47 g/mol
Identifiers
CAS Registry Number
54010-75-2
SMILES
O=S(=O)(O)C(F)(F)F.[Zn]
InChI Key
NGOCMUBXJDDBLB-UHFFFAOYSA-N
InChI
InChI=1S/CHF3O3S.Zn/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Names and Synonyms
- Zinc Triflate Common Name
- Methanesulfonic acid, 1,1,1-trifluoro-, zinc salt (2:1) Synonym
- Methanesulfonic acid, trifluoro-, zinc salt Synonym
- Zinc trifluoromethylsulfonate Synonym
- Zinc bis(trifluoromethanesulfonate) Synonym
- Zinc triflate Synonym
- Zinc trifluoromethanesulfonate Synonym
- Bis(trifluoromethanesulfonato)zinc Synonym
- Trifluoromethanesulfonic acid zinc salt (2:1) Synonym
- Zinc(II) triflate Synonym
- Trifluoromethanesulfonic acid zinc salt Synonym
- Zinc trifluoromethanesulfonate [Zn(CF3SO3)2] Synonym
- Zinc ditriflate Synonym
- A 218 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.47 g/mol | CAS Common Chemistry |
| 215.46699999999998 g/mol | RDKit | |
| 215.467 g/mol | RDKit | |
| 217.466 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zinc_triflate | CAS Common Chemistry |
| Canonical SMILES | [Zn].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.Zn/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=NGOCMUBXJDDBLB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >600 °C (decomp) | CAS Common Chemistry |
| Name | Zinc triflate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 0.3915000000000002 | RDKit |
| 0.3915 | RDKit | |
| Molar Refractivity | 17.603600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 213.888991752 g/mol | RDKit |
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 |
|---|
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.
External Resources
Convert
Quick conversion
MW = 215.47 g/mol. Edit any field — others recompute live.
