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Methyldiphenylphosphine
CAS: 1486-28-8 | C13H13P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1486-28-8
Molecular Formula:
C13H13P
Molecular Mass:
200.22 g/mol
Names and Synonyms:
Methyldiphenylphosphine
Phosphine, methyldiphenyl-
Methyldiphenylphosphine
Diphenylmethylphosphine
Diphenylphosphinomethane
NSC 158476
Identifiers:
SMILES:
CP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H13P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
Key Properties
Boiling Point
284 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
117-118 °C
CAS Common Chemistry
Density
1.08 g/cm³
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 | 200.22 g/mol | CAS Common Chemistry |
| 200.22099999999998 g/mol | RDKit | |
| 200.075487046 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0779 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyldiphenylphosphine | CAS Common Chemistry |
| Boiling Point | 284 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UJNZOIKQAUQOCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117-118 °C | CAS Common Chemistry |
| Name | Methyldiphenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.749100000000001 | RDKit |
| Molar Refractivity | 64.99600000000004 | RDKit |
