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Diphenylphosphinic Chloride
CAS: 1499-21-4 | C12H10ClOP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1499-21-4
Molecular Formula:
C12H10ClOP
Molecular Mass:
236.64 g/mol
Names and Synonyms:
Diphenylphosphinic Chloride
Phosphinic chloride, P,P-diphenyl-
Phosphinic chloride, diphenyl-
P,P-Diphenylphosphinic chloride
Diphenylphosphinic chloride
Diphenylphosphinyl chloride
Chlorodiphenylphosphine oxide
Diphenylchlorophosphine oxide
Diphenylphosphinic acid chloride
Diphenylphosphorus oxychloride
Diphenylphosphinoyl chloride
NSC 175848
Diphenylphosphonic chloride
[Chloro(phenyl)phosphoryl]benzene
Identifiers:
SMILES:
O=P(Cl)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
222 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
187 °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 | 236.64 g/mol | CAS Common Chemistry |
| 236.63800000000003 g/mol | RDKit | |
| 236.01577924999998 g/mol | RDKit | |
| Boiling Point | 222 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(Cl)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=QPQGTZMAQRXCJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 187 °C | CAS Common Chemistry |
| Name | Diphenylphosphinic chloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 3.154300000000001 | RDKit |
| Molar Refractivity | 65.61150000000002 | RDKit |
