chempirical

2,2′,4′-Trichloroacetophenone

C8H5Cl3OCAS 4252-78-2223.48 g/mol

Open in Covalent MOL file
OClClCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H5Cl3O
Molar mass
223.48 g/mol
Exact mass
221.9406 Da
Melting point
57 °C
Boiling point
130–135 °C (at 4 Torr)
logP
3.41Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
4252-78-2
SMILES
O=C(CCl)c1ccc(Cl)cc1Cl
InChIKey
VYWPPRLJNVHPEU-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 2-chloro-1-(2,4-dichlorophenyl)-
  • Acetophenone, 2,2′,4′-trichloro-
  • 2-Chloro-1-(2,4-dichlorophenyl)ethanone
  • 2,4-Dichlorophenacyl chloride
  • α,2,4-Trichloroacetophenone
  • ω-Chloro-2,4-dichloroacetophenone
  • 2,4,2′-Trichloroacetophenone
  • Chloromethyl 2,4-dichlorophenyl ketone
  • 2-Chloro-1-(2′,4′-dichlorophenyl)ethanone
  • 2-Chloro-1-(2,4-dichlorophenyl)ethan-1-one

Work with 2,2′,4′-Trichloroacetophenone

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

2,4-Dichlorophenacyl bromide2631-72-368 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-968 % similar 1-(2,4-Dichlorophenyl)-1-butanone66353-47-764 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-361 % similar 2,4-Dichlorobenzoyl chloride89-75-856 % similar 2,4′-Dichloroacetophenone937-20-255 % similar 2,4-Dichlorobenzoyl peroxide133-14-254 % similar 2′,4′-Dichloroacetophenone2234-16-454 % similar

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

Same formula

1-(2,3,4-Trichlorophenyl)ethanone13608-87-2 2-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-8

Elsewhere

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