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Boron Trifluoride
CAS: 7637-07-2 | BF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7637-07-2
Molecular Formula:
BF3
Molecular Weight:
67.80600000000001 g/mol
Names and Synonyms:
Boron Trifluoride
Synonym
Borane, trifluoro-
Synonym
Boron fluoride (BF3)
Synonym
Trifluoroborane
Synonym
Boron fluoride
Synonym
Boron trifluoride
Synonym
Trifluoroboron
Synonym
ANCA 1040
Synonym
Identifiers:
SMILES:
FB(F)F
InChI:
InChI=1S/BF3/c2-1(3)4
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 67.80600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 68.00451506 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8798 | RDKit |
| molecular_mass | 67.81 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Boron_trifluoride None | Legacy Database |
| cas-boiling-point | -99.9 °C None | Legacy Database |
| cas-canonical-smile | FB(F)F None | Legacy Database |
| cas-inchi | InChI=1S/BF3/c2-1(3)4 None | Legacy Database |
| cas-inchi-key | InChIKey=WTEOIRVLGSZEPR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -126.8 °C None | Legacy Database |
| cas-name | Boron trifluoride None | Legacy Database |
| wikipedia-name | Boron trifluoride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 9.078000000000001 | RDKit |