chempirical

4-Phenylphenacyl chloride

C14H11ClOCAS 635-84-7230.69 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C14H11ClO
Molar mass
230.69 g/mol
Exact mass
230.0498 Da
Melting point
124–126 °C
logP
3.78Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
635-84-7
SMILES
O=C(CCl)c1ccc(-c2ccccc2)cc1
InChIKey
IQEIGQFNDLINOT-UHFFFAOYSA-N
InChI
InChI=1S/C14H11ClO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

12 names
  • Ethanone, 1-[1,1′-biphenyl]-4-yl-2-chloro-
  • Acetophenone, 2-chloro-4′-phenyl-
  • 1-[1,1′-Biphenyl]-4-yl-2-chloroethanone
  • p-Phenylphenacyl chloride
  • 2-Chloro-4′-phenylacetophenone
  • 4-(2-Chloroacetyl)biphenyl
  • NSC 41668
  • 4-(Chloroacetyl)biphenyl
  • 1-Biphenyl-4-yl-2-chloroethanone
  • 2-Chloro-1-(4-phenylphenyl)ethan-1-one
  • 2-Chloro-1-(4-phenylphenyl)ethanone
  • Ethanone, 1-(1,1'-biphenyl)-4-yl-2-chloro-

Work with 4-Phenylphenacyl chloride

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

Phenacyl chloride532-27-477 % similar 1-(1,1'-Biphenyl)-4-yl-2-bromoethanone135-73-961 % similar 1-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-161 % similar 2,4′-Dichloroacetophenone937-20-260 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-358 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-958 % similar 2-Chloro-4′-fluoroacetophenone456-04-258 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-058 % similar

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

Same formula

Diphenylacetyl chloride1871-76-7 1-(4-Chlorophenyl)-2-phenylethanone1889-71-0 Desyl chloride447-31-4

Elsewhere

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