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Molecule
Pyridinium, 1-Fluoro-, Tetrafluoroborate(1-) (1:1)
CAS: 107264-09-5 · C5H5BF5N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107264-09-5
- Molecular Formula
- C5H5BF5N
- Molecular Mass
- 184.90400000000005 g/mol
Identifiers
CAS Registry Number
107264-09-5
SMILES
F[B-](F)(F)F.F[n+]1ccccc1
InChI Key
PIGQKECRKGMXRG-UHFFFAOYSA-N
InChI
InChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1
Names and Synonyms
- Pyridinium, 1-Fluoro-, Tetrafluoroborate(1-) (1:1) Systematic Name
- Pyridinium, 1-fluoro-, tetrafluoroborate(1-) (1:1) Synonym
- Pyridinium, 1-fluoro-, tetrafluoroborate(1-) Synonym
- N-Fluoropyridinium tetrafluoroborate Synonym
- FP-B 500 Synonym
- Florinate FP-B 500 Synonym
- 1-Fluoropyridinium tetrafluoroborate(1-) Synonym
- 1-Fluoropyridinium tetrafluoroborate Synonym
- 1-Fluoropyridin-1-ium; tetrafluoroboranuide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 184.90400000000005 g/mol | RDKit |
| 185.04352065999998 g/mol | RDKit | |
| 184.904 g/mol | RDKit | |
| 184.902 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 184.90 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 184.90 g/mol. Edit any field — others recompute live.
