Phenylnitropropene
1-nitroprop-1-enylbenzene
Also Known As: phenylnitropropene|1-nitroprop-1-enylbenzene|(1-nitroprop-1-en-1-yl)benzene|Benzene,(1-nitro-1-propen-1-yl)-
CAS: 25236-39-9
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06332 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.06332 |
| Monoisotopic Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 25236-39-9 |
|---|---|
| SMILES | CC=C(C1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | COMOEDSRBFJHCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (5 patents)
Pharmaceutical Intermediates (3 patents)
Product Overview
Phenylnitropropene (CAS 25236-39-9), with molecular formula C9H9NO2 and molecular weight 163.06332 g/mol. IUPAC: 1-nitroprop-1-enylbenzene.
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.
View MSDS →
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