4-(4-Chlorophenyl)but-3-yn-2-one
4-(4-chlorophenyl)but-3-yn-2-one
Also Known As: 4-(4-chlorophenyl)but-3-yn-2-one|4-(4-Chlorophenyl)-3-butyn-2-one|Methyl p-chlorophenylethynyl ketone|3-Butyn-2-one, 4-(4-chlorophenyl)-|4-(4-Chlorophenyl)-3-butyne-2-one|4-(4-Chlorophenyl)-3-butyn-2-one #|J1.655.954G
CAS: 39180-26-2
| Molecular Formula | C10H7ClO |
|---|---|
| Molecular Weight | 178.01854 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.01854 |
| Monoisotopic Mass | 178.01854 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 39180-26-2 |
|---|---|
| SMILES | CC(=O)C#CC1=CC=C(C=C1)Cl |
| InChIKey | HFASFWYORFMUJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (2 patents)
Pharmaceutical Intermediates (4 patents)
Product Overview
4-(4-Chlorophenyl)but-3-yn-2-one (CAS 39180-26-2), with molecular formula C10H7ClO and molecular weight 178.01854 g/mol. IUPAC: 4-(4-chlorophenyl)but-3-yn-2-one.
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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