1-(4-Chlorophenyl)-2-phenylethanone

C₁₄H₁₁ClOCAS 1889-71-0230.69 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₁₁ClO
Molar mass: 230.69 g/mol
Exact mass: 230.0498 Da
Melting point: 107.5 °C
Boiling point: 199–200 °C (at 16 Torr)
logP: 3.77Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H317 May cause an allergic skin reaction95.3% of notifiers
H318 Causes serious eye damage95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

1889-71-0

SMILES

O=C(Cc1ccccc1)c1ccc(Cl)cc1

InChIKey

DXVALSKCLLBZEB-UHFFFAOYSA-N

InChI

InChI=1S/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

11 names

Ethanone, 1-(4-chlorophenyl)-2-phenyl-
Acetophenone, 4′-chloro-2-phenyl-
Benzyl p-chlorophenyl ketone
4′-Chloro-2-phenylacetophenone
p-Chlorophenyl benzyl ketone
4-Chlorophenyl benzyl ketone
Benzyl 4-chlorophenyl ketone
1-(4-Chlorophenyl)-2-phenyl-1-ethanone
NSC 32891
NSC 99455
4'-Chloro-2-phenylacetophenone

Work with 1-(4-Chlorophenyl)-2-phenylethanone

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

2-Phenylacetophenone451-40-171 % similar 1-(4-Bromophenyl)-2-phenylethanone2001-29-864 % similar 1-(4-Fluorophenyl)-2-phenylethan-1-one347-84-264 % similar 2-Amino-4'-chloroacetophenone7644-03-359 % similar 4'-Methoxy-2-phenylacetophenone1023-17-258 % similar 2,4′-Dichloroacetophenone937-20-256 % similar 2′-Bromo-4-chloroacetophenone536-38-955 % similar 4′-Chloropropiophenone6285-05-855 % similar

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

Same formula

Diphenylacetyl chloride1871-76-7 Desyl chloride447-31-4 4-Phenylphenacyl chloride635-84-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook