1-(p-Chlorophenyl)acetone

C₉H₉ClOCAS 5586-88-9168.62 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₉ClO
Molar mass: 168.62 g/mol
Exact mass: 168.0342 Da
Density: 1.14 g/mL
Melting point: 6–8 °C
Boiling point: 85–86 °C (at 1 Torr)
logP: 2.47Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers
H412 Harmful to aquatic life with long lasting effects25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5586-88-9

SMILES

CC(=O)Cc1ccc(Cl)cc1

InChIKey

WEJRYKSUUFKMBC-UHFFFAOYSA-N

InChI

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

(4-Chlorophenyl)acetone
2-Propanone, 1-(4-chlorophenyl)-
2-Propanone, 1-(p-chlorophenyl)-
2-Propanone, (p-chlorophenyl)-
1-(4-Chlorophenyl)-2-propanone
(p-Chlorophenyl)acetone
Methyl p-chlorobenzyl ketone
1-(p-Chlorophenyl)-2-propanone
p-Chlorophenyl-2-propanone
p-Chlorobenzyl methyl ketone
4-Chlorobenzyl methyl ketone
NSC 22985
1-(4-Chlorophenyl)propan-2-one
1-(4-Chlorophenyl)acetone

Work with 1-(p-Chlorophenyl)acetone

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-(4-Methylphenyl)propan-2-one2096-86-862 % similar 1-(4-Bromophenyl)propan-2-one6186-22-762 % similar 4-Ethylphenylacetone75251-24-062 % similar 4-Hydroxyphenylacetone770-39-862 % similar Phenylacetone103-79-761 % similar (4-Fluorophenyl)acetone459-03-060 % similar 4-Chlorobenzeneacetyl chloride25026-34-057 % similar 4-Pyridylacetone6304-16-157 % 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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