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Molecule
Phosphorus Pentachloride
CAS: 10026-13-8 · Cl5P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10026-13-8
- Molecular Formula
- Cl5P
- Molecular Mass
- 208.24 g/mol
Identifiers
CAS Registry Number
10026-13-8
SMILES
ClP(Cl)(Cl)(Cl)Cl
InChI Key
UHZYTMXLRWXGPK-UHFFFAOYSA-N
InChI
InChI=1S/Cl5P/c1-6(2,3,4)5
Names and Synonyms
- Phosphorus Pentachloride Common Name
- Phosphorane, pentachloro- Synonym
- Phosphorus chloride (PCl5) Synonym
- Pentachlorophosphorane Synonym
- Phosphoric chloride Synonym
- Phosphorus pentachloride Synonym
- Phosphorus perchloride Synonym
- Phosphorus(V) chloride Synonym
- Pentachlorophosphorus Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.24 g/mol | CAS Common Chemistry |
| 208.23900000000003 g/mol | RDKit | |
| 208.239 g/mol | RDKit | |
| 208.224 g/mol | chempirical lib | |
| Density | 2.11 g/cm³ | CAS Common Chemistry |
| 2.114 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorus_pentachloride | CAS Common Chemistry |
| Canonical SMILES | ClP(Cl)(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl5P/c1-6(2,3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=UHZYTMXLRWXGPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160.5 °C | CAS Common Chemistry |
| Name | Phosphorus pentachloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 4.308699999999999 | RDKit |
| 4.3087 | RDKit | |
| Molar Refractivity | 36.185 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 205.81802503 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 208.24 g/mol; density = 2.110 g/mL. Edit any field — others recompute live.
