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2-(Dicyclohexylphosphino)-2′-Methylbiphenyl
CAS: 251320-86-2 | C25H33P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
251320-86-2
Molecular Formula:
C25H33P
Molecular Mass:
364.51 g/mol
Names and Synonyms:
2-(Dicyclohexylphosphino)-2′-Methylbiphenyl
Phosphine, dicyclohexyl(2′-methyl[1,1′-biphenyl]-2-yl)-
Dicyclohexyl(2′-methyl[1,1′-biphenyl]-2-yl)phosphine
2-(Dicyclohexylphosphino)-2′-methylbiphenyl
MePhos
Identifiers:
SMILES:
Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3
Key Properties
Melting Point
109-111 °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 | 364.51 g/mol | CAS Common Chemistry |
| 364.51300000000026 g/mol | RDKit | |
| 364.231987686 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=C(C1)C=2C=CC=CC2C)P(C3CCCCC3)C4CCCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GPVWUKXZFDHGMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109-111 °C | CAS Common Chemistry |
| Name | 2-(Dicyclohexylphosphino)-2′-methylbiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.434620000000006 | RDKit |
| Molar Refractivity | 116.91500000000006 | RDKit |
