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Tris(4-Methoxyphenyl)Phosphine
CAS: 855-38-9 | C21H21O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
855-38-9
Molecular Formula:
C21H21O3P
Molecular Mass:
352.37 g/mol
Names and Synonyms:
Tris(4-Methoxyphenyl)Phosphine
Phosphine, tris(4-methoxyphenyl)-
Phosphine, tris(p-methoxyphenyl)-
Tris(4-methoxyphenyl)phosphine
Tri-p-anisylphosphine
Tris(p-methoxyphenyl)phosphine
Tris(p-anisyl)phosphine
Trianisylphosphine
Tri(p-methoxyphenyl)phosphine
Tris(4-anisyl)phosphine
Tri(4-methoxyphenyl)phosphine
NSC 136458
TPAP
Tris(4-methoxylphenyl)phosphine
Identifiers:
SMILES:
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChI:
InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
Key Properties
Melting Point
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 | 352.37 g/mol | CAS Common Chemistry |
| 352.3700000000001 g/mol | RDKit | |
| 352.122831162 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(4-methoxyphenyl)phosphine | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)P(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UYUUAUOYLFIRJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | Tris(4-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 |
