3-Bromocinnamonitrile
3-(3-bromophenyl)prop-2-enenitrile
Also Known As: 3-bromocinnamonitrile|3-(3-bromophenyl)prop-2-enenitrile|2-Propenenitrile, 3-(3-bromophenyl)-
CAS: 81069-30-9
| Molecular Formula | C9H6BrN |
|---|---|
| Molecular Weight | 206.96835 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.96835 |
| Monoisotopic Mass | 206.96835 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 81069-30-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C=CC#N |
| InChIKey | DTGJLERNSYLLAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Organic Building Blocks (4 patents)
Product Overview
3-Bromocinnamonitrile (CAS 81069-30-9), with molecular formula C9H6BrN and molecular weight 206.96835 g/mol. IUPAC: 3-(3-bromophenyl)prop-2-enenitrile.
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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