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Bis(4-Methylphenyl)Phosphine Oxide
CAS: 2409-61-2 | C14H15OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2409-61-2
Molecular Formula:
C14H15OP
Molecular Mass:
230.25 g/mol
Names and Synonyms:
Bis(4-Methylphenyl)Phosphine Oxide
Phosphine oxide, bis(4-methylphenyl)-
Phosphine oxide, di-p-tolyl-
Bis(4-methylphenyl)phosphine oxide
Bis-p-tolylphosphine oxide
Di-p-tolylphosphine oxide
Di(4-methylphenyl)phosphinous acid
Bis(4-tolyl)phosphine oxide
Di(para-tolyl)phosphine oxide
1-Methyl-4-[(4-methylphenyl)-oxidophosphaniumyl]benzene
Identifiers:
SMILES:
Cc1ccc([PH](=O)c2ccc(C)cc2)cc1
InChI:
InChI=1S/C14H15OP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3
Key Properties
Melting Point
119-121 °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 | 230.25 g/mol | CAS Common Chemistry |
| 230.24700000000004 g/mol | RDKit | |
| 230.08605172999998 g/mol | RDKit | |
| Canonical SMILES | O=P(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H15OP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GCUWBTGMXUIKOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119-121 °C | CAS Common Chemistry |
| Name | Bis(4-methylphenyl)phosphine oxide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.8139400000000006 | RDKit |
| Molar Refractivity | 70.62750000000004 | RDKit |
