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Chlorodiphenylphosphine
CAS: 1079-66-9 | C12H10ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1079-66-9
Molecular Formula:
C12H10ClP
Molecular Mass:
220.64 g/mol
Names and Synonyms:
Chlorodiphenylphosphine
Phosphinous chloride, P,P-diphenyl-
Phosphinous chloride, diphenyl-
P,P-Diphenylphosphinous chloride
Chlorodiphenylphosphine
Diphenylphosphinous chloride
Diphenylchlorophosphine
Phosphine, chlorodiphenyl-
Diphenylphosphine chloride
Diphenylphosphorus chloride
NSC 60407
Identifiers:
SMILES:
ClP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
100-102 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
15-16 °C
CAS Common Chemistry
Density
1.19 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 | 220.64 g/mol | CAS Common Chemistry |
| 220.639 g/mol | RDKit | |
| 220.02086463 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorodiphenylphosphine | CAS Common Chemistry |
| Boiling Point | 100-102 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | ClP(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=XGRJZXREYAXTGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15-16 °C | CAS Common Chemistry |
| Name | Chlorodiphenylphosphine | 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 | 3.2731000000000012 | RDKit |
| Molar Refractivity | 64.92500000000003 | RDKit |
