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Pyridinium, 1-Fluoro-, Tetrafluoroborate(1-) (1:1)
CAS: 107264-09-5 | C5H5BF5N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107264-09-5
Molecular Formula:
C5H5BF5N
Molecular Mass:
184.90 g/mol
Names and Synonyms:
Pyridinium, 1-Fluoro-, Tetrafluoroborate(1-) (1:1)
Pyridinium, 1-fluoro-, tetrafluoroborate(1-) (1:1)
Pyridinium, 1-fluoro-, tetrafluoroborate(1-)
N-Fluoropyridinium tetrafluoroborate
FP-B 500
Florinate FP-B 500
1-Fluoropyridinium tetrafluoroborate(1-)
1-Fluoropyridinium tetrafluoroborate
1-Fluoropyridin-1-ium; tetrafluoroboranuide
Identifiers:
SMILES:
F[B-](F)(F)F.F[n+]1ccccc1
InChI:
InChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1
Key Properties
Melting Point
90-91 °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 | 184.90 g/mol | CAS Common Chemistry |
| 184.90400000000005 g/mol | RDKit | |
| 185.04352065999998 g/mol | RDKit | |
| Canonical SMILES | F[N+]=1C=CC=CC1.[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PIGQKECRKGMXRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90-91 °C | CAS Common Chemistry |
| Name | Pyridinium, 1-fluoro-, tetrafluoroborate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.88 Ų | RDKit |
| LogP | 2.0067 | RDKit |
| Molar Refractivity | 33.32900000000001 | RDKit |
