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Molecule
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 Mass
- 67.81 g/mol
Identifiers
CAS Registry Number
7637-07-2
SMILES
FB(F)F
InChI Key
WTEOIRVLGSZEPR-UHFFFAOYSA-N
InChI
InChI=1S/BF3/c2-1(3)4
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 67.81 g/mol | CAS Common Chemistry |
| 67.80600000000001 g/mol | RDKit | |
| 68.00451506 g/mol | RDKit | |
| 67.806 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Boron_trifluoride | CAS Common Chemistry |
| Boiling Point | -99.9 °C | CAS Common Chemistry |
| Canonical SMILES | FB(F)F | CAS Common Chemistry |
| InChI | InChI=1S/BF3/c2-1(3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=WTEOIRVLGSZEPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -126.8 °C | CAS Common Chemistry |
| Name | Boron trifluoride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.8798 | RDKit |
| Molar Refractivity | 9.078000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 67.804 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 67.81 g/mol. Edit any field — others recompute live.
