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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 Mass:
67.81 g/mol
Names and Synonyms:
Boron Trifluoride
Borane, trifluoro-
Boron fluoride (BF3)
Trifluoroborane
Boron fluoride
Boron trifluoride
Trifluoroboron
ANCA 1040
Identifiers:
SMILES:
FB(F)F
InChI:
InChI=1S/BF3/c2-1(3)4
Key Properties
Boiling Point
-99.9 °C
CAS Common Chemistry
Melting Point
-126.8 °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 | 67.81 g/mol | CAS Common Chemistry |
| 67.80600000000001 g/mol | RDKit | |
| 68.00451506 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 | RDKit |
