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Phosphorus Trichloride
CAS: 7719-12-2 | Cl3P
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
7719-12-2
Molecular Formula:
Cl3P
Molecular Mass:
137.33 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
Key Properties
Boiling Point
76 °C
CAS Common Chemistry
Melting Point
-112 °C
CAS Common Chemistry
Density
1.57 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 | 137.33 g/mol | CAS Common Chemistry |
| 137.33300000000003 g/mol | RDKit | |
| 135.88031967 g/mol | RDKit | |
| Density | 1.57 g/cm³ | CAS Common Chemistry |
| 1.574 g/cm3 @ Temp: 21 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorus_trichloride | CAS Common Chemistry |
| Boiling Point | 76 °C | CAS Common Chemistry |
| Canonical SMILES | ClP(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl3P/c1-4(2)3 | CAS Common Chemistry |
| InChI Key | InChIKey=FAIAAWCVCHQXDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -112 °C | CAS Common Chemistry |
| Name | Phosphorus trichloride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.9296999999999995 | RDKit |
| Molar Refractivity | 24.479 | RDKit |
