chempirical

4-Chlorobenzophenone

C13H9ClOCAS 134-85-0216.66 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C13H9ClO
Molar mass
216.66 g/mol
Exact mass
216.0342 Da
Melting point
78 °C
Boiling point
332 °C (at 771 Torr)
logP
3.57Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Environmental Hazard (GHS09)

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

Precautionary statements

P273, P391, P501

Identifiers

CAS number
134-85-0
SMILES
O=C(c1ccccc1)c1ccc(Cl)cc1
InChIKey
UGVRJVHOJNYEHR-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

Weigh it out

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

Names and synonyms

19 names · show all
  • Methanone, (4-chlorophenyl)phenyl-
  • Benzophenone, 4-chloro-
  • Benzophenone, p-chloro-
  • (4-Chlorophenyl)phenylmethanone
  • p-Chlorobenzophenone
  • p-CBP
  • p-Chlorophenyl phenyl ketone
  • CBP
  • 4-Chlorophenyl phenyl ketone
  • NSC 2872
  • Initiator 1046
  • Phenyl 4-chlorophenyl ketone
  • 4-Benzoylphenyl chloride
  • 4-CBP
  • 1-(4′-Chlorophenyl)-phenylmethanone
  • 1-p-Chlorophenyl-1-phenylmethanone
  • Photoinitiator CBP
  • JRcure 1046
  • CBZ

Work with 4-Chlorobenzophenone

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

4,4′-Dichlorobenzophenone90-98-282 % similar 1,4-Dibenzoylbenzene3016-97-573 % similar 1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione22711-23-569 % similar Benzophenone119-61-968 % similar 4-(4'-Chlorobenzoyl)pyridine14548-48-264 % similar 4-Bromo-4'-chlorobenzophenone27428-57-564 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-364 % similar 1,3-Dibenzoylbenzene3770-82-964 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chlorobenzophenone1016-78-0 4'-Chlorobiphenyl-3-carbaldehyde139502-80-0 [1,1′-Biphenyl]-4-carbonyl chloride14002-51-8 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-2 2-Chlorobenzophenone5162-03-8

Elsewhere

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