chempirical

4′-Chloropropiophenone

C9H9ClOCAS 6285-05-8168.62 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C9H9ClO
Molar mass
168.62 g/mol
Exact mass
168.0342 Da
Melting point
37.3 °C
Boiling point
134–137 °C
logP
2.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6285-05-8
SMILES
CCC(=O)c1ccc(Cl)cc1
InChIKey
ADCYRBXQAJXJTD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 4'-Chloropropiophenone
  • 1-(4-Chlorophenyl)-1-propanone
  • 1-Propanone, 1-(4-chlorophenyl)-
  • Propiophenone, 4′-chloro-
  • Ethyl p-chlorophenyl ketone
  • p-Chloropropiophenone
  • 4-Chloropropiophenone
  • NSC 5600

Work with 4′-Chloropropiophenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(4-Chlorophenyl)-1-butanone4981-63-967 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-763 % similar 2,4′-Dichloroacetophenone937-20-262 % similar 1-(4-Fluorophenyl)-1-propanone456-03-160 % similar 2′-Bromo-4-chloroacetophenone536-38-960 % similar 2-Amino-4'-chloroacetophenone7644-03-360 % similar 1-(3,4-Dichlorophenyl)-1-propanone6582-42-959 % similar 1-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Allyl-4-chlorophenol13997-73-4 1-(3-Chlorophenyl)propan-2-one14123-60-5 4-Ethylbenzoyl chloride16331-45-6 3,4-Dimethylbenzoyl chloride21900-23-2 2,4-Dimethylbenzoyl chloride21900-42-5 2,3-Dimethylbenzene-1-carbonyl chloride21900-46-9 3′-Chloropropiophenone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook