2-Chloro-1-(4-methylphenyl)ethanone

C₉H₉ClOCAS 4209-24-9168.62 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₉H₉ClO
Molar mass: 168.62 g/mol
Exact mass: 168.0342 Da
Density: 1.0937 g/mL (at 20 °C)
Melting point: 57–58 °C
Boiling point: 113 °C (at 4 Torr)
logP: 2.42Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P234, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, P501

Identifiers

CAS number

4209-24-9

SMILES

Cc1ccc(C(=O)CCl)cc1

InChIKey

HGLJRZYKFVJSEE-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Ethanone, 2-chloro-1-(4-methylphenyl)-
Acetophenone, 2-chloro-4′-methyl-
p-Methylphenacyl chloride
p-Methyl-2-chloroacetophenone
α-Chloro-4′-methylacetophenone
4-Methylphenacyl chloride
2-Chloro-4′-methylacetophenone
4-(2-Chloroacetyl)toluene
Chloromethyl 4-methylphenyl ketone
2-Chloro-1-(4′-methylphenyl)ethanone
Chloromethyl p-tolyl ketone
NSC 41667
2-Chloro-1-(p-tolyl)ethanone
2-Chloro-1-(4-methylphenyl)ethan-1-one

Work with 2-Chloro-1-(4-methylphenyl)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

4′-Methylpropiophenone5337-93-962 % similar 2,4′-Dichloroacetophenone937-20-262 % similar Phenacyl chloride532-27-461 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-360 % similar 2-Chloro-4′-fluoroacetophenone456-04-260 % similar 2-Bromo-4'-methylacetophenone619-41-060 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-060 % similar 2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone21886-62-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Allyl-4-chlorophenol13997-73-4 1-(3-Chlorophenyl)propan-2-one14123-60-5 4-Ethylbenzoyl chloride16331-45-6 3,4-Dimethylbenzoyl chloride21900-23-2 2,4-Dimethylbenzoyl chloride21900-42-5 2,3-Dimethylbenzene-1-carbonyl chloride21900-46-9 3′-Chloropropiophenone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8

Elsewhere

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