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4-Methoxybenzenediazonium Tetrafluoroborate
CAS: 459-64-3 | C7H7BF4N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
459-64-3
Molecular Formula:
C7H7BF4N2O
Molecular Mass:
221.95 g/mol
Names and Synonyms:
4-Methoxybenzenediazonium Tetrafluoroborate
Benzenediazonium, 4-methoxy-, tetrafluoroborate(1-) (1:1)
Benzenediazonium, p-methoxy-, tetrafluoroborate(1-)
Benzenediazonium, 4-methoxy-, tetrafluoroborate(1-)
p-Methoxybenzenediazonium tetrafluoroborate
p-Methoxybenzenediazonium fluoborate
Borate(1-), tetrafluoro-, p-methoxybenzenediazonium
Borate(1-), tetrafluoro-, 4-methoxybenzenediazonium
p-Methoxybenzenediazonium tetrafluoroborate(1-)
p-Methoxybenzenediazonium fluoroborate
p-Anisyldiazonium tetrafluoroborate
4-Methoxybenzenediazonium tetrafluoroborate
4-Methoxyphenyldiazonium tetrafluoroborate
p-Methoxyphenyldiazonium tetrafluoroborate
Diazene, (4-methoxyphenyl)-, tetrafluoroborate(1-) (1:1)
Identifiers:
SMILES:
COc1ccc([N+]#N)cc1.F[B-](F)(F)F
InChI:
InChI=1S/C7H7N2O.BF4/c1-10-7-4-2-6(9-8)3-5-7;2-1(3,4)5/h2-5H,1H3;/q+1;-1
Key Properties
Melting Point
142-143 °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 | 221.95 g/mol | CAS Common Chemistry |
| 222.05875612399998 g/mol | RDKit | |
| Canonical SMILES | N#[N+]C1=CC=C(OC)C=C1.[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N2O.BF4/c1-10-7-4-2-6(9-8)3-5-7;2-1(3,4)5/h2-5H,1H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=BYGWNWAFXUPZHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142-143 °C | CAS Common Chemistry |
| Name | 4-Methoxybenzenediazonium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.379999999999995 Ų | RDKit |
| LogP | 3.4797800000000008 | RDKit |
| Molar Refractivity | 47.924000000000014 | RDKit |
