1-Benzyl-3-nitrobenzene
1-benzyl-3-nitrobenzene
Also Known As: 1-Benzyl-3-nitrobenzene|m-Nitrodiphenylmethane|Methane, (m-nitrophenyl)phenyl-|3-nitro-diphenyl methane|Benzene, 1-nitro-3-(phenylmethyl)-|1-Nitro-3-benzylbenzene|1-Benzyl-3-nitrobenzene #|Phenyl(3-nitrophenyl)methane|1-Nitro-3-(phenylmethyl)benzene
CAS: 5840-41-5
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.07898 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 |
| Monoisotopic Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5840-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | CMTUCQNYLNHJRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (2 patents)
Heterocyclic Building Blocks (53 patents)
Organic Building Blocks (11 patents)
Pharmaceutical Intermediates (61 patents)
Polymer Intermediates (4 patents)
Product Overview
1-Benzyl-3-nitrobenzene (CAS 5840-41-5), with molecular formula C13H11NO2 and molecular weight 213.07898 g/mol. IUPAC: 1-benzyl-3-nitrobenzene.
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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