3,4-Difluorobenzoylacetonitrile
3-(3,4-difluorophenyl)-3-oxopropanenitrile
Also Known As: 3,4-Difluorobenzoylacetonitrile|3-(3,4-difluorophenyl)-3-oxopropanenitrile|KS-00000IJ6|AM1161|3-Oxo-3-(3,4-difluorophenyl)propanenitrile|DS-8061|3,4-Difluoro-b-oxo-benzenepropanenitrile|3,4-DIFLUORO BENZOYL ACETONITRILE|Benzenepropanenitrile,3,4-difluoro-beta-oxo-|A1-00630|3-(3',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE|800-900-0
CAS: 71682-97-8
| Molecular Formula | C9H5F2NO |
|---|---|
| Molecular Weight | 181.03392 g/mol |
| LogP | 2.06118 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.03392 |
| Monoisotopic Mass | 181.03392 |
| Heavy Atoms | 13 |
| Complexity | 381.69135 |
Chemical Identifiers
| CAS Number | 71682-97-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CC#N)F)F |
Product Overview
3,4-Difluorobenzoylacetonitrile (CAS 71682-97-8), with molecular formula C9H5F2NO and molecular weight 181.03392 g/mol. IUPAC: 3-(3,4-difluorophenyl)-3-oxopropanenitrile.
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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