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2-(Di-Tert-Butylphosphino)Biphenyl
CAS: 224311-51-7 | C20H27P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
224311-51-7
Molecular Formula:
C20H27P
Molecular Mass:
298.41 g/mol
Names and Synonyms:
2-(Di-Tert-Butylphosphino)Biphenyl
Phosphine, [1,1′-biphenyl]-2-ylbis(1,1-dimethylethyl)-
[1,1′-Biphenyl]-2-ylbis(1,1-dimethylethyl)phosphine
2-(Di-tert-butylphosphino)biphenyl
2-(Di-tert-butylphosphino)-1,1′-biphenyl
Di(tert-butyl)(2-phenylphenyl)phosphine
2-Biphenylyl-di-tert-butylphosphine
Di-tert-butyl-o-biphenylphosphine
Di(tert-butyl)(1,1′-biphenyl-2-yl)phosphine
JohnPhos
(Biphenyl-2-yl)bis(tert-butyl)phosphine
([1,1′-Biphenyl]-2-yl)di(tert-butyl)phosphine
2-(Di-t-butylphosphino)biphenyl
Identifiers:
SMILES:
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C
InChI:
InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
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 | 298.41 g/mol | CAS Common Chemistry |
| 298.4100000000001 g/mol | RDKit | |
| 298.185037494 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC=CC2P(C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CNXMDTWQWLGCPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Di-tert-butylphosphino)biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.057800000000006 | RDKit |
| Molar Refractivity | 97.93800000000007 | RDKit |
