Back to Search
Phosphorus Pentabromide
CAS: 7789-69-7 | Br5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-69-7
Molecular Formula:
Br5P
Molecular Mass:
430.49 g/mol
Names and Synonyms:
Phosphorus Pentabromide
Phosphorane, pentabromo-
Phosphorus bromide (PBr5)
Pentabromophosphorane
Phosphoric bromide
Phosphorus pentabromide
Phosphorus perbromide
Pentabromophosphorus
Phosphorus(V) bromide
Identifiers:
SMILES:
BrP(Br)(Br)(Br)Br
InChI:
InChI=1S/Br5P/c1-6(2,3,4)5
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 | 430.49 g/mol | CAS Common Chemistry |
| 430.49399999999997 g/mol | RDKit | |
| 425.56544713000005 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorus_pentabromide | CAS Common Chemistry |
| Canonical SMILES | BrP(Br)(Br)(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/Br5P/c1-6(2,3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=QRKVRHZNLKTPGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentabromophosphorane | CAS Common Chemistry |
| Phosphorus pentabromide | 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 | 5.0892 | RDKit |
| Molar Refractivity | 51.555 | RDKit |
