chempirical

2',4'-Dichlorobutyrophenone

C10H10Cl2OCAS 66353-47-7217.09 g/mol

Open in Covalent MOL file
OClCl
Aryl halideKetone

Properties

Molecular formula
C10H10Cl2O
Molar mass
217.09 g/mol
Exact mass
216.0109 Da
logP
3.98Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
66353-47-7
SMILES
CCCC(=O)c1ccc(Cl)cc1Cl
InChIKey
FXCJYMLJTUZGDU-UHFFFAOYSA-N
InChI
InChI=1S/C10H10Cl2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1-(2,4-Dichlorophenyl)-1-butanone
  • 1-Butanone, 1-(2,4-dichlorophenyl)-
  • 2,4-Dichlorophenyl propyl ketone

Work with 2',4'-Dichlorobutyrophenone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2,4-Dichlorophenyl)-1-pentanone61023-66-383 % similar 2',4'-Dichloropropiophenone37885-41-971 % similar 2,2′,4′-Trichloroacetophenone4252-78-264 % similar 2-Bromo-2',4'-dichloroacetophenone170894-53-862 % similar 2,4-Dichlorophenacyl bromide2631-72-362 % similar 2-Amino-2',4'-dichloroacetophenone313553-17-262 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-958 % similar 5-Chloro-1-indanone42348-86-757 % similar

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

Same formula

4-Chloro-1-(4-chlorophenyl)-1-butanone40877-09-6

Elsewhere

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