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Acetic Acid, 2,2,2-Trifluoro-, Mercury(2+) Salt (2:1)
CAS: 13257-51-7 | C2HF3HgO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13257-51-7
Molecular Formula:
C2HF3HgO2
Molecular Mass:
314.61 g/mol
Names and Synonyms:
Acetic Acid, 2,2,2-Trifluoro-, Mercury(2+) Salt (2:1)
Acetic acid, 2,2,2-trifluoro-, mercury(2+) salt (2:1)
Acetic acid, trifluoro-, mercury(2+) salt
Mercuric trifluoroacetate
Trifluoroacetic acid mercury(2+) salt
Bis(trifluoroacetato)mercury
Mercury(II) trifluoroacetate
Mercury bis(trifluoroacetate)
Mercury(2+) trifluoroacetate
Mercury(II) bis(trifluoroacetate)
Bis(trifluoroacetoxy)mercury
Identifiers:
SMILES:
O=C(O)C(F)(F)F.[Hg]
InChI:
InChI=1S/C2HF3O2.Hg/c3-2(4,5)1(6)7;/h(H,6,7);
Key Properties
Melting Point
164-168 °C
CAS Common Chemistry
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 | 314.61 g/mol | CAS Common Chemistry |
| 314.612 g/mol | RDKit | |
| 315.96350693200003 g/mol | RDKit | |
| Canonical SMILES | [Hg].O=C(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2HF3O2.Hg/c3-2(4,5)1(6)7;/h(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=CPJNAQDRGJNWFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-168 °C | CAS Common Chemistry |
| Name | Acetic acid, 2,2,2-trifluoro-, mercury(2+) salt (2:1) | 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 | 0.6308 | RDKit |
| Molar Refractivity | 13.690800000000001 | RDKit |
