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Phenylphosphine
CAS: 638-21-1 | C6H7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
638-21-1
Molecular Formula:
C6H7P
Molecular Mass:
110.10 g/mol
Names and Synonyms:
Phenylphosphine
Phosphine, phenyl-
Phenylphosphine
Monophenylphosphine
NSC 511703
Identifiers:
SMILES:
Pc1ccccc1
InChI:
InChI=1S/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2
Key Properties
Boiling Point
160.5 °C
CAS Common Chemistry
Melting Point
148-151 °C
CAS Common Chemistry
Density
1.00 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 | 110.10 g/mol | CAS Common Chemistry |
| 110.09599999999998 g/mol | RDKit | |
| 110.028536854 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.00 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylphosphine | CAS Common Chemistry |
| Boiling Point | 160.5 °C | CAS Common Chemistry |
| Canonical SMILES | PC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RPGWZZNNEUHDAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148-151 °C | CAS Common Chemistry |
| Name | Phenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.1869999999999998 | RDKit |
| Molar Refractivity | 35.78600000000001 | RDKit |
