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Molecule
Phosphorus Tribromide
CAS: 7789-60-8 · Br3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7789-60-8
- Molecular Formula
- Br3P
- Molecular Mass
- 270.69 g/mol
Identifiers
CAS Registry Number
7789-60-8
SMILES
BrP(Br)Br
InChI Key
IPNPIHIZVLFAFP-UHFFFAOYSA-N
InChI
InChI=1S/Br3P/c1-4(2)3
Names and Synonyms
- Phosphorus Tribromide Common Name
- Phosphorous tribromide Synonym
- Phosphorus bromide (PBr3) Synonym
- Phosphorous bromide Synonym
- Phosphorus tribromide Synonym
- Tribromophosphine Synonym
- PBr3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Boiling Point | 173.2 °C | CAS Common Chemistry |
| Canonical SMILES | BrP(Br)Br | CAS Common Chemistry |
| Molecular Mass | 270.69 g/mol | CAS Common Chemistry |
| 270.686 g/mol | RDKit | |
| Density | 2.85 g/cm³ | CAS Common Chemistry |
| 2.85 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorus_tribromide | CAS Common Chemistry |
| InChI | InChI=1S/Br3P/c1-4(2)3 | CAS Common Chemistry |
| InChI Key | InChIKey=IPNPIHIZVLFAFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -41.5 °C | CAS Common Chemistry |
| Name | Phosphorus tribromide | 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 | 3.398 | RDKit |
| Molar Refractivity | 33.701 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 267.72877293 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
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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 = 270.69 g/mol; density = 2.850 g/mL. Edit any field — others recompute live.
