Back to Search
Phosphorus Trichloride
CAS: 7719-12-2 | Cl3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7719-12-2
Molecular Formula:
Cl3P
Molecular Weight:
137.33300000000003 g/mol
Names and Synonyms:
Phosphorus Trichloride
Phosphorous trichloride
Phosphorus chloride (PCl3)
Phosphorous chloride
Phosphine, trichloro-
Trichlorophosphine
Phosphorus chloride (Cl6P2)
Phosphorus trichloride
Identifiers:
SMILES:
ClP(Cl)Cl
InChI:
InChI=1S/Cl3P/c1-4(2)3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 137.33 g/mol | Legacy Database |
| density | 1.57 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phosphorus_trichloride None | Legacy Database |
| cas-boiling-point | 76 °C None | Legacy Database |
| cas-canonical-smile | ClP(Cl)Cl None | Legacy Database |
| cas-density | 1.574 g/cm3 @ Temp: 21 °C None | Legacy Database |
| cas-inchi | InChI=1S/Cl3P/c1-4(2)3 None | Legacy Database |
| cas-inchi-key | InChIKey=FAIAAWCVCHQXDN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -112 °C None | Legacy Database |
| cas-name | Phosphorus trichloride None | Legacy Database |
| wikipedia-name | Phosphorus trichloride None | Legacy Database |
| LogP | 2.9296999999999995 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.33300000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.88031967 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.479 | RDKit |
