1-(3-Chlorophenyl)ethanone

C8H7ClOCAS 99-02-5154.59 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C8H7ClO
Molar mass
154.59 g/mol
Exact mass
154.0185 Da
Density
1.213 g/mL (at 10 °C)
Boiling point
244 °C
logP
2.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
99-02-5
SMILES
CC(=O)c1cccc(Cl)c1
InChIKey
UUWJBXKHMMQDED-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 1-(3-chlorophenyl)-
  • Acetophenone, 3′-chloro-
  • m-Chloroacetophenone
  • 3′-Chloroacetophenone
  • 1-Acetyl-3-chlorobenzene
  • Methyl 3-chlorophenyl ketone
  • 3-Chlorophenyl methyl ketone
  • 1-(3-Chlorophenyl)ethan-1-one

Work with 1-(3-Chlorophenyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diacetylbenzene6781-42-672 % similar 3',5'-Dichloroacetophenone14401-72-067 % similar P-Chloroacetophenone99-91-261 % similar 3′-Bromoacetophenone2142-63-460 % similar 3′-Fluoroacetophenone455-36-760 % similar 3′-Methylacetophenone585-74-060 % similar 3-Hydroxyacetophenone121-71-158 % similar 3-Iodoacetophenone14452-30-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetyl chloride103-80-0 2-Chloro-6-methylbenzaldehyde1194-64-5 3-Methylbenzoyl chloride1711-06-4 2′-Chloroacetophenone2142-68-9 4-Chlorostyrene oxide2788-86-5 3-Chloro-4-methylbenzaldehyde3411-03-8 4-Chloro-2-methylbenzaldehyde40137-29-9 Phenacyl chloride532-27-4

Elsewhere

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