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Molecule
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
Identifiers
CAS Registry Number
10025-87-3
SMILES
O=P(Cl)(Cl)Cl
InChI Key
XHXFXVLFKHQFAL-UHFFFAOYSA-N
InChI
InChI=1S/Cl3OP/c1-5(2,3)4
Names and Synonyms
- Phosphoryl Chloride Common Name
- Phosphoric trichloride Synonym
- Phosphoryl chloride Synonym
- Phosphorus oxychloride Synonym
- Phosphorus oxytrichloride Synonym
- Phosphorus chloride oxide (POCl3) Synonym
- Trichlorophosphine oxide Synonym
- Phosphoryl trichloride Synonym
- Phosphorus oxide trichloride Synonym
- Phosphoroxychloride Synonym
- Trichlorophosphorus oxide Synonym
- Phosphoric chloride Synonym
- Phosphorus trichloride oxide Synonym
- Phosphoroxytrichloride Synonym
- Phosphorus chloride oxide (PCl3O) Synonym
- Phosphorus monoxide trichloride Synonym
- Phosphonyl trichloride Synonym
- Phosphorous chloride oxide (POCl3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.33 g/mol | CAS Common Chemistry |
| 153.332 g/mol | RDKit | |
| 153.323 g/mol | chempirical lib | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.645 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 151.87523428999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 153.33 g/mol; density = 1.650 g/mL. Edit any field — others recompute live.
