Back to Search
Pyridinium, 2,6-Dichloro-1-Fluoro-, Tetrafluoroborate(1-) (1:1)
CAS: 140623-89-8 | C5H3BCl2F5N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140623-89-8
Molecular Formula:
C5H3BCl2F5N
Molecular Mass:
253.79 g/mol
Names and Synonyms:
Pyridinium, 2,6-Dichloro-1-Fluoro-, Tetrafluoroborate(1-) (1:1)
Pyridinium, 2,6-dichloro-1-fluoro-, tetrafluoroborate(1-) (1:1)
Pyridinium, 2,6-dichloro-1-fluoro-, tetrafluoroborate(1-)
FP-B 800
N-Fluoro-2,6-dichloropyridinium tetrafluoroborate
2,6-Dichloro-1-fluoropyridinium tetrafluoroborate(1-)
2,6-Dichloro-1-fluoropyridinium tetrafluoroborate
1-Fluoro-2,6-dichloropyridinium tetrafluoroborate
2,6-Dichloro-1-fluoropyridin-1-ium; tetrafluoroboranuide
Identifiers:
SMILES:
F[B-](F)(F)F.Fn1c(Cl)cccc1=[Cl+]
InChI:
InChI=1S/C5H3Cl2FN.BF4/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)5/h1-3H;/q+1;-1
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 | 253.79 g/mol | CAS Common Chemistry |
| 253.79400000000004 g/mol | RDKit | |
| 252.96557595599998 g/mol | RDKit | |
| Canonical SMILES | F[N+]=1C(Cl)=CC=CC1Cl.[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/C5H3Cl2FN.BF4/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)5/h1-3H;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=JVYBYXWHPIEUOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pyridinium, 2,6-dichloro-1-fluoro-, tetrafluoroborate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 4.93 Ų | RDKit |
| LogP | 3.255390000000001 | RDKit |
| Molar Refractivity | 39.37700000000002 | RDKit |
