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Benzeneselenenyl Chloride
CAS: 5707-04-0 | C6H5ClSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5707-04-0
Molecular Formula:
C6H5ClSe
Molecular Mass:
191.52 g/mol
Names and Synonyms:
Benzeneselenenyl Chloride
Benzeneselenenyl chloride
Phenylselenyl chloride
Benzeneselenyl chloride
Chlorophenylselenium
Phenylselenium chloride
Phenylselenium monochloride
(Phenylselanyl)chlorane
Identifiers:
SMILES:
Cl[Se]c1ccccc1
InChI:
InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
Key Properties
Boiling Point
92 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
64-65 °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 | 191.52 g/mol | CAS Common Chemistry |
| 191.51900000000003 g/mol | RDKit | |
| 191.92449914 g/mol | RDKit | |
| Boiling Point | 92 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Se]C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=WJCXADMLESSGRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64-65 °C | CAS Common Chemistry |
| Name | Benzeneselenenyl chloride | 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 | 1.1699 | RDKit |
| Molar Refractivity | 37.683000000000014 | RDKit |
