2,4′-Dichloroacetophenone

C₈H₆Cl₂OCAS 937-20-2189.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₆Cl₂O
Molar mass: 189.03 g/mol
Exact mass: 187.9796 Da
Melting point: 101.5 °C
Boiling point: 270 °C
logP: 2.76Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction10.9% of notifiers
H318 Causes serious eye damage10.9% of notifiers
H319 Causes serious eye irritation87% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

937-20-2

SMILES

O=C(CCl)c1ccc(Cl)cc1

InChIKey

FWDFNLVLIXAOMX-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

15 names · show all

2,4'-Dichloroacetophenone
Ethanone, 2-chloro-1-(4-chlorophenyl)-
Acetophenone, 2,4′-dichloro-
2-Chloro-1-(4-chlorophenyl)ethanone
p-Chlorophenacyl chloride
α-Chloro-p-chloroacetophenone
ω-Chloro-p-chloroacetophenone
4-Chlorophenacyl chloride
Chloromethyl 4-chlorophenyl ketone
2-Chloro-1-(4-chlorophenyl)-1-ethanone
1-(4-Chlorophenyl)-2-chloroethanone
2-Chloro-4′-chloroacetophenone
NSC 41669
α-Chloro-4-chloroacetophenone
2-Chloro-1-(4′-chlorophenyl)-ethanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4′-Dichloropropiophenone3946-29-066 % similar Phenacyl chloride532-27-463 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-362 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-962 % similar 2-Chloro-4′-fluoroacetophenone456-04-262 % similar 2′-Bromo-4-chloroacetophenone536-38-962 % similar 4′-Chloropropiophenone6285-05-862 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-062 % 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 2',4'-Dichloroacetophenone2234-16-4 1-(2,5-Dichlorophenyl)ethanone2476-37-1 4-Chlorobenzeneacetyl chloride25026-34-0 3′,4′-Dichloroacetophenone2642-63-9 2,2-Dichloroacetophenone2648-61-5

Elsewhere

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