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Borate(1-), Trifluoromethyl-, Potassium, (T-4)-
CAS: 13862-28-7 | CH3BF3K
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
13862-28-7
Molecular Formula:
CH3BF3K
Molecular Mass:
121.94 g/mol
Names and Synonyms:
Borate(1-), Trifluoromethyl-, Potassium, (T-4)-
Borate(1-), trifluoromethyl-, potassium, (T-4)-
Borate(1-), trifluoromethyl-, potassium
Potassium trifluoromethylborate
Potassium methyltrifluoroborate
Identifiers:
SMILES:
C[B-](F)(F)F.[K+]
InChI:
InChI=1S/CH3BF3.K/c1-2(3,4)5;/h1H3;/q-1;+1
Key Properties
Melting Point
282 °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 | 121.94 g/mol | CAS Common Chemistry |
| 121.93900000000001 g/mol | RDKit | |
| 121.991696836 g/mol | RDKit | |
| Canonical SMILES | [K+].[F-][B+3]([F-])([F-])[CH3-] | CAS Common Chemistry |
| InChI | InChI=1S/CH3BF3.K/c1-2(3,4)5;/h1H3;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=XMQFVHVGFQJMFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 282 °C | CAS Common Chemistry |
| Name | Borate(1-), trifluoromethyl-, potassium, (T-4)- | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -1.5324 | RDKit |
| Molar Refractivity | 14.942000000000002 | RDKit |
