1-(2,5-Dichlorophenyl)ethanone

C₈H₆Cl₂OCAS 2476-37-1189.03 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: 1.352 g/mL (at 17.54 °C)
Melting point: 12 °C
Boiling point: 102–104 °C (at 3 Torr)
logP: 3.20Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 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

2476-37-1

SMILES

CC(=O)c1cc(Cl)ccc1Cl

InChIKey

CYNFEPKQDJHIMV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Ethanone, 1-(2,5-dichlorophenyl)-
Acetophenone, 2′,5′-dichloro-
2′,5′-Dichloroacetophenone
NSC 6308
2,5-Chloroacetophenone
1-(2,5-Dichlorophenyl)ethan-1-one

Work with 1-(2,5-Dichlorophenyl)ethanone

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

5′-Chloro-2′-hydroxyacetophenone1450-74-464 % similar 2'-Chloro-5'-fluoroacetophenone2965-16-464 % similar 1-(2-Bromo-5-chlorophenyl)ethanone935-99-964 % similar 2-Chloro-5-amino-acetophenone99914-14-464 % similar 2′-Chloroacetophenone2142-68-963 % similar 1-(5-Chloro-2-methoxyphenyl)ethanone6342-64-960 % similar 2,5-Dichlorobenzoyl chloride2905-61-559 % similar 2,5-Dichlorobenzoic acid50-79-359 % 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 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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