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Tris(2-Methoxyphenyl)Phosphine
CAS: 4731-65-1 | C21H21O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4731-65-1
Molecular Formula:
C21H21O3P
Molecular Mass:
352.37 g/mol
Names and Synonyms:
Tris(2-Methoxyphenyl)Phosphine
Phosphine, tris(2-methoxyphenyl)-
Phosphine, tris(o-methoxyphenyl)-
Tris(2-methoxyphenyl)phosphine
Tris(o-anisyl)phosphine
Tri-o-anisylphosphine
Tris(o-methoxyphenyl)phosphine
Tri(o-methoxyphenyl)phosphine
Tri(2-methoxyphenyl)phosphine
NSC 93545
Tris(2-methoxylphenyl)phosphine
(o-Meoph)3p
Identifiers:
SMILES:
COc1ccccc1P(c1ccccc1OC)c1ccccc1OC
InChI:
InChI=1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3
Key Properties
Melting Point
204 °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 | 352.37 g/mol | CAS Common Chemistry |
| 352.37000000000006 g/mol | RDKit | |
| 352.12283116199995 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC=CC1P(C=2C=CC=CC2OC)C=3C=CC=CC3OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IIOSDXGZLBPOHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204 °C | CAS Common Chemistry |
| Name | Tris(2-methoxyphenyl)phosphine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.470600000000002 | RDKit |
| Molar Refractivity | 104.80400000000003 | RDKit |
