2',4'-Dichloroacetophenone

C₈H₆Cl₂OCAS 2234-16-4189.03 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆Cl₂O
Molar mass: 189.03 g/mol
Exact mass: 187.9796 Da
Density: 1.322 g/mL (at 22 °C)
Melting point: 33.5 °C
Boiling point: 140–150 °C (at 115 Torr)
logP: 3.20Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed66.4% of notifiers
H318 Causes serious eye damage34.5% of notifiers
H412 Harmful to aquatic life with long lasting effects32.8% of notifiers

Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

2234-16-4

SMILES

CC(=O)c1ccc(Cl)cc1Cl

InChIKey

XMCRWEBERCXJCH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

10 names

2′,4′-Dichloroacetophenone
Ethanone, 1-(2,4-dichlorophenyl)-
Acetophenone, 2′,4′-dichloro-
1-(2,4-Dichlorophenyl)ethanone
p-Chloro-2-chloroacetophenone
o,p-Dichloroacetophenone
NSC 33945
2-Acetyl-5-chlorophenyl chloride
2,4-Dichlorophenyl methyl ketone
1-(2,4-Dichlorophenyl)ethan-1-one

Work with 2',4'-Dichloroacetophenone

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-Chloro-4-(4-chlorophenoxy)phenyl]ethanone119851-28-469 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-864 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-764 % similar 1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-064 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-664 % similar 1-(2-Bromo-4-chlorophenyl)ethanone825-40-164 % similar 2′-Chloroacetophenone2142-68-963 % similar 2,4-Dichlorobenzoyl chloride89-75-859 % similar

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

Same formula

3',5'-Dichloroacetophenone14401-72-0 2′,6′-Dichloroacetophenone2040-05-3 2,3'-Dichloroacetophenone21886-56-6 1-(2,5-Dichlorophenyl)ethanone2476-37-1 4-Chlorobenzeneacetyl chloride25026-34-0 3′,4′-Dichloroacetophenone2642-63-9 2,2-Dichloroacetophenone2648-61-5 α-Chlorobenzeneacetyl chloride2912-62-1

Elsewhere

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