CAS 3506-75-0 4-(4-chlorophenyl)butan-2-one (HCID 219277)

Substructure search Find similar structures

Basic information

CAS: 3506-75-0
Standard SMILES: CC(=O)CCc1ccc(Cl)cc1
InChIKey: NHWRHEOCEWDYPJ-UHFFFAOYSA-N
Molecular formula: C10H11ClO
Average molar mass: 182.65 g/mol
Monoisotopic mass: 182.04984265

Names & identifiers

Preferred name: 4-(4-chlorophenyl)butan-2-one
IUPAC: 4-(4-Chlorophenyl)butan-2-one
English name: 4-(4-Chlorophenyl)butane-2-one
Molecular formula: C10H11ClO
Molecular weight: 182.65

Names & synonyms

4-(4-chlorophenyl)butan-2-one4-(4-Chlorophenyl)butane-2-one2-Butanone, 4-(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)-1-butanone

Database identifiers

CAS: 3506-75-0
PubChem CID: 219277
DTXSID: DTXSID50277008
EC Number: 995-430-7
Nikkaji: J1.684.470E

Properties

Physicochemical properties

Boiling point: 110 · 110-114 °C(Press: 3 Torr)
Density: 1.111 · 1.111±0.06 g/cm3(Predicted)
solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Oil
color: Colourless to Pale Yellow
HazardClass: IRRITANT

Safety & regulation

Safety data

hazard_class: IRRITANT

Chemistry & industry

Applications

Uses4-(4-Chlorophenyl)-2-butanone has been used as a reactant in the preparation of diarylheptanoids as tumor necrosis factor-α (TNF-α) inhibitors.