3-Chlorocinnamonitrile
3-(3-chlorophenyl)prop-2-enenitrile
Also Known As: 3-chlorocinnamonitrile|m-chlorocinnamonitrile|3-(3-chlorophenyl)prop-2-enenitrile|2-Propenenitrile, 3-(3-chlorophenyl)-|(E)-3-(3-chlorophenyl)prop-2-enenitrile|(2E)-3-(3-Chlorophenyl)-2-propenenitrile|2-Propenenitrile, 3-(3-chlorophenyl)-, (E)-
CAS: 24654-47-5
| Molecular Formula | C9H6ClN |
|---|---|
| Molecular Weight | 163.01888 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.01888 |
| Monoisotopic Mass | 163.01888 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 24654-47-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C=CC#N |
| InChIKey | HMADLTFIHASVIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Heterocyclic Building Blocks (3 patents)
Organic Building Blocks (25 patents)
Pharmaceutical Intermediates (8 patents)
Product Overview
3-Chlorocinnamonitrile (CAS 24654-47-5), with molecular formula C9H6ClN and molecular weight 163.01888 g/mol. IUPAC: 3-(3-chlorophenyl)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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