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Molecule
Phosphine
CAS: 7803-51-2 · H3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7803-51-2
- Molecular Formula
- H3P
- Molecular Mass
- 34.00 g/mol
Identifiers
CAS Registry Number
7803-51-2
SMILES
P
InChI Key
XYFCBTPGUUZFHI-UHFFFAOYSA-N
InChI
InChI=1S/H3P/h1H3
Names and Synonyms
- Phosphine Common Name
- Phosphine Synonym
- Phosphorus hydride (PH3) Synonym
- Hydrogen phosphide Synonym
- Phosphorus trihydride Synonym
- Phosphine (PH3) Synonym
- Phosphorus hydride Synonym
- TK-Gas Synonym
- Vaporphos Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 34.00 g/mol | CAS Common Chemistry |
| 33.998 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphine | CAS Common Chemistry |
| Boiling Point | -87.7 °C | CAS Common Chemistry |
| Canonical SMILES | P | CAS Common Chemistry |
| InChI | InChI=1S/H3P/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XYFCBTPGUUZFHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -133 °C | CAS Common Chemistry |
| Name | Phosphine (PH3) | CAS Common Chemistry |
| Phosphine | CAS Common Chemistry | |
| Heavy Atom Count | 1 | 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 | 0.05809999999999993 | RDKit |
| 0.0581 | RDKit | |
| Molar Refractivity | 11.104999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 33.997236726 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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MW = 34.00 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.
