Back to Search
Phosphoryl Chloride
CAS: 10025-87-3 | Cl3OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10025-87-3
Molecular Formula:
Cl3OP
Molecular Mass:
153.33 g/mol
Names and Synonyms:
Phosphoryl Chloride
Phosphoric trichloride
Phosphoryl chloride
Phosphorus oxychloride
Phosphorus oxytrichloride
Phosphorus chloride oxide (POCl3)
Trichlorophosphine oxide
Phosphoryl trichloride
Phosphorus oxide trichloride
Phosphoroxychloride
Trichlorophosphorus oxide
Phosphoric chloride
Phosphorus trichloride oxide
Phosphoroxytrichloride
Phosphorus chloride oxide (PCl3O)
Phosphorus monoxide trichloride
Phosphonyl trichloride
Phosphorous chloride oxide (POCl3)
Identifiers:
SMILES:
O=P(Cl)(Cl)Cl
InChI:
InChI=1S/Cl3OP/c1-5(2,3)4
Key Properties
Boiling Point
105.8 °C
CAS Common Chemistry
Melting Point
1.25 °C
CAS Common Chemistry
Density
1.65 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 | 153.33 g/mol | CAS Common Chemistry |
| 153.332 g/mol | RDKit | |
| 151.87523428999998 g/mol | RDKit | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.645 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphoryl_chloride | CAS Common Chemistry |
| Boiling Point | 105.8 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl3OP/c1-5(2,3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=XHXFXVLFKHQFAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1.25 °C | CAS Common Chemistry |
| Name | Phosphorus oxychloride | CAS Common Chemistry |
| Phosphoryl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.8109 | RDKit |
| Molar Refractivity | 25.1655 | RDKit |
