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Triphenylborane
CAS: 960-71-4 | C18H15B
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
960-71-4
Molecular Formula:
C18H15B
Molecular Mass:
242.13 g/mol
Names and Synonyms:
Triphenylborane
Borane, triphenyl-
Borine, triphenyl-
Triphenylborane
Triphenylboron
Triphenylborine
Identifiers:
SMILES:
c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
Key Properties
Boiling Point
208 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
147 °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 | 242.13 g/mol | CAS Common Chemistry |
| 242.12668088 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenylborane | CAS Common Chemistry |
| Boiling Point | 208 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)B(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=MXSVLWZRHLXFKH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147 °C | CAS Common Chemistry |
| Name | Triphenylborane | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 2.2028 | RDKit |
| Molar Refractivity | 83.98200000000004 | RDKit |
