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Molecule
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
Identifiers
CAS Registry Number
1499-21-4
SMILES
O=P(Cl)(c1ccccc1)c1ccccc1
InChI Key
QPQGTZMAQRXCJW-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Diphenylphosphinic Chloride Common Name
- Phosphinic chloride, P,P-diphenyl- Synonym
- Phosphinic chloride, diphenyl- Synonym
- P,P-Diphenylphosphinic chloride Synonym
- Diphenylphosphinic chloride Synonym
- Diphenylphosphinyl chloride Synonym
- Chlorodiphenylphosphine oxide Synonym
- Diphenylchlorophosphine oxide Synonym
- Diphenylphosphinic acid chloride Synonym
- Diphenylphosphorus oxychloride Synonym
- Diphenylphosphinoyl chloride Synonym
- NSC 175848 Synonym
- Diphenylphosphonic chloride Synonym
- [Chloro(phenyl)phosphoryl]benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.64 g/mol | CAS Common Chemistry |
| 236.63800000000003 g/mol | RDKit | |
| 236.638 g/mol | RDKit | |
| 236.635 g/mol | chempirical lib | |
| 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 |
| 3.1543 | RDKit | |
| 2.99 | chempirical lib | |
| Molar Refractivity | 65.61150000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 236.01577924999998 g/mol | RDKit |
| Boiling Point | 222 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 236.64 g/mol. Edit any field — others recompute live.
