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Molecule
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
Identifiers
CAS Registry Number
7789-69-7
SMILES
BrP(Br)(Br)(Br)Br
InChI Key
QRKVRHZNLKTPGF-UHFFFAOYSA-N
InChI
InChI=1S/Br5P/c1-6(2,3,4)5
Names and Synonyms
- Phosphorus Pentabromide Common Name
- Phosphorane, pentabromo- Synonym
- Phosphorus bromide (PBr5) Synonym
- Pentabromophosphorane Synonym
- Phosphoric bromide Synonym
- Phosphorus pentabromide Synonym
- Phosphorus perbromide Synonym
- Pentabromophosphorus Synonym
- Phosphorus(V) bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 430.49 g/mol | CAS Common Chemistry |
| 430.49399999999997 g/mol | RDKit | |
| 430.494 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 |
| 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 |
| 4.7 | chempirical lib | |
| Molar Refractivity | 51.555 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 425.56544713000005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 430.49 g/mol. Edit any field — others recompute live.
