4,4′-Dichlorobenzil

C14H8Cl2O2CAS 3457-46-3279.12 g/mol

Open in Covalent MOL file
OOClCl
Aryl halideKetone

Properties

Molecular formula
C14H8Cl2O2
Molar mass
279.12 g/mol
Exact mass
277.9901 Da
Melting point
196–197 °C
logP
4.06Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
3457-46-3
SMILES
O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
XMAWUPHYEABFDR-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H

Weigh it out

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

Names and synonyms

12 names
  • 1,2-Ethanedione, 1,2-bis(4-chlorophenyl)-
  • Benzil, 4,4′-dichloro-
  • Ethanedione, bis(4-chlorophenyl)-
  • 1,2-Bis(4-chlorophenyl)-1,2-ethanedione
  • 4,4′-Dichlorodibenzoyl
  • Bis(p-chlorophenyl)ethanedione
  • p,p′-Dichlorobenzil
  • NSC 274
  • Bis(4-chlorophenyl)ethanedione
  • 1,2-Bis(4-chlorophenyl)ethane-1,2-dione
  • 1,2-Bis(4-chlorophenyl)ethanedione
  • 1,2-Bis(4-chlorophenyl)ethandione

Work with 4,4′-Dichlorobenzil

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

1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione22711-23-582 % similar 1-(4-Chlorophenyl)-1,2-propanedione10557-21-868 % similar 4,4′-Dichlorobenzophenone90-98-264 % similar 4-Chlorobenzoyl chloride122-01-058 % similar 4-Chlorobenzamide619-56-758 % similar 4-Chlorobenzoic acid74-11-356 % similar p-Chlorobenzoyl peroxide94-17-756 % similar P-Chloroacetophenone99-91-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-5 4,4′-Biphenyldicarbonyl chloride2351-37-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook