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Tris(Pentafluorophenyl)Borane
CAS: 1109-15-5 | C18BF15
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1109-15-5
Molecular Formula:
C18BF15
Molecular Mass:
511.98 g/mol
Names and Synonyms:
Tris(Pentafluorophenyl)Borane
Borane, tris(2,3,4,5,6-pentafluorophenyl)-
Borane, tris(pentafluorophenyl)-
Tris(2,3,4,5,6-pentafluorophenyl)borane
Tris(pentafluorophenyl)borane
Perfluorotriphenylboron
Tris(pentafluorophenyl)boron
Tri(pentafluorophenyl)boron
Tris(perfluorophenyl)borane
Tri(perfluorophenyl)borane
BF 15
Tris(perfluorophenyl)boron
Identifiers:
SMILES:
Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChI:
InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
Key Properties
Melting Point
126-131 °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 | 511.98 g/mol | CAS Common Chemistry |
| 511.9800000000001 g/mol | RDKit | |
| 511.9853537 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(pentafluorophenyl)borane | CAS Common Chemistry |
| Canonical SMILES | FC=1C(F)=C(F)C(B(C=2C(F)=C(F)C(F)=C(F)C2F)C=3C(F)=C(F)C(F)=C(F)C3F)=C(F)C1F | CAS Common Chemistry |
| InChI | InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25 | CAS Common Chemistry |
| InChI Key | InChIKey=OBAJXDYVZBHCGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-131 °C | CAS Common Chemistry |
| Name | Tris(pentafluorophenyl)borane | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.2893 | RDKit |
| Molar Refractivity | 83.35200000000002 | RDKit |
