1-(4-Chlorophenyl)-1-butanone
Properties
- Molecular formula
- C10H11ClO
- Molar mass
- 182.65 g/mol
- Exact mass
- 182.0498 Da
- Melting point
- 36 °C
- Boiling point
- 136–138 °C (at 22 Torr)
- logP
- 3.32Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed97.5% of notifiers
- H317 May cause an allergic skin reaction97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501
Identifiers
CAS number
4981-63-9SMILES
CCCC(=O)c1ccc(Cl)cc1InChIKey
XLCJPQYALLFIPW-UHFFFAOYSA-NInChI
InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1-Butanone, 1-(4-chlorophenyl)-
- Butyrophenone, 4′-chloro-
- p-Chlorobutyrophenone
- 4′-Chlorobutyrophenone
- 4-Chlorophenyl propyl ketone
- p-Chlorophenyl propyl ketone
- Propyl 4-chlorophenyl ketone
- 4'-Chlorobutyrophenone
Work with 1-(4-Chlorophenyl)-1-butanone
Similar compounds
1-(4-Chlorophenyl)-1-pentanone25017-08-780 % similar
4′-Chloropropiophenone6285-05-867 % similar
3,4′-Dichloropropiophenone3946-29-065 % similar
1-(4-Methylphenyl)-1-butanone4160-52-565 % similar
Butyrophenone495-40-963 % similar
4′-Hydroxybutyrophenone1009-11-663 % similar
1-(4-Aminophenyl)-1-butanone1688-71-763 % similar
1-(4-Bromophenyl)-1-butanone4981-64-063 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds