Phenyl isoselenocyanate
isoselenocyanatobenzene
Also Known As: Phenyl isoselenocyanate|Isoselenocyanatobenzene|phenylisoselenocyanate|phenyl-isoselenocyanate|Benzene,isoselenocyanato-|Phenyl selenoisocyanate|Benzene, isoselenocyanato-|Isoselenocyanatobenzene #|Isoselenocyanic acid, phenyl ester
CAS: 4426-68-0
| Molecular Formula | C7H5NSe |
|---|---|
| Molecular Weight | 182.95872 g/mol |
| LogP | 1.3919 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.95872 |
| Monoisotopic Mass | 182.95872 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 4426-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C=[Se] |
| InChIKey | VMPYPALZFODHOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (2 patents)
Organometallic Reagents (2 patents)
Pharmaceutical Intermediates (1 patents)
Product Overview
Phenyl isoselenocyanate (CAS 4426-68-0), with molecular formula C7H5NSe and molecular weight 182.95872 g/mol. IUPAC: isoselenocyanatobenzene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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