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Benzeneselenenyl Bromide
CAS: 34837-55-3 | C6H5BrSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34837-55-3
Molecular Formula:
C6H5BrSe
Molecular Mass:
235.97 g/mol
Names and Synonyms:
Benzeneselenenyl Bromide
Benzeneselenenyl bromide
Phenylselenenyl bromide
Phenylselenyl bromide
Benzeneselenyl bromide
Phenylselenium bromide
Identifiers:
SMILES:
Br[Se]c1ccccc1
InChI:
InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
Key Properties
Boiling Point
107-108 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
62 °C
CAS Common Chemistry
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 | 235.97 g/mol | CAS Common Chemistry |
| 235.87398356 g/mol | RDKit | |
| Boiling Point | 107-108 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | Br[Se]C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=LCEFEIBEOBPPSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62 °C | CAS Common Chemistry |
| Name | Benzeneselenenyl bromide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.326 | RDKit |
| Molar Refractivity | 40.75700000000002 | RDKit |
