P-Chloroacetophenone
Properties
- Molecular formula
- C8H7ClO
- Molar mass
- 154.59 g/mol
- Exact mass
- 154.0185 Da
- Density
- 1.1922 g/mL (at 20 °C)
- Melting point
- 20–21 °C
- Boiling point
- 237 °C
- Water solubility
- miscible
- logP
- 2.54Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed86.1% of notifiers
- H315 Causes skin irritation24.5% of notifiers
- H318 Causes serious eye damage18.5% of notifiers
- H319 Causes serious eye irritation81% of notifiers
- H330 Fatal if inhaled23.6% of notifiers
- H335 May cause respiratory irritation87% of notifiers
- H412 Harmful to aquatic life with long lasting effects12.5% of notifiers
Aggregated from 216 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
99-91-2SMILES
CC(=O)c1ccc(Cl)cc1InChIKey
BUZYGTVTZYSBCU-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
22 names · show all
- Ethanone, 1-(4-chlorophenyl)-
- Acetophenone, 4′-chloro-
- Acetophenone, p-chloro-
- 1-(4-Chlorophenyl)ethanone
- 4′-Chloroacetophenone
- Methyl p-chlorophenyl ketone
- p-Chlorophenyl methyl ketone
- Methyl 4-chlorophenyl ketone
- 1-Acetyl-4-chlorobenzene
- 4-Chlorophenyl methyl ketone
- 4-Acetylchlorobenzene
- p-Acetylchlorobenzene
- 1-(4-Chlorophenyl)-1-ethanone
- 1-Chloro-4-acetylbenzene
- 4-Acetyl-1-chlorobenzene
- NSC 6115
- 1-(p-Chlorophenyl)ethanone
- 4-Acetylphenyl chloride
- p-Chlorohypnone
- 4-Chlorohypnone
- 4-Chloro-1-acetylbenzene
- 4-Chlorobenzene methyl ketone
Work with P-Chloroacetophenone
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
1,4-Diacetylbenzene1009-61-671 % similar
4,4'-Diacetylbiphenyl787-69-963 % similar
3',5'-Dichloroacetophenone14401-72-062 % similar
1-(3-Chlorophenyl)ethanone99-02-561 % similar
P-Methylacetophenone122-00-958 % similar
4-Dimethylaminoacetophenone2124-31-457 % similar
4,4′-Dichlorobenzil3457-46-356 % similar
4,4′-Dichlorobenzophenone90-98-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.