1,2-Bis(2-chlorophenyl)-1,2-ethanedione

C14H8Cl2O2CAS 21854-95-5279.12 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
128 °C
logP
4.06Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number
21854-95-5
SMILES
O=C(C(=O)c1ccccc1Cl)c1ccccc1Cl
InChIKey
VOSNNSVWVJFJCR-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H

Weigh it out

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Names and synonyms

7 names
  • 1,2-Ethanedione, 1,2-bis(2-chlorophenyl)-
  • Benzil, 2,2′-dichloro-
  • Ethanedione, bis(2-chlorophenyl)-
  • 2,2′-Dichlorobenzil
  • o,o′-Dichlorobenzil
  • NSC 114829
  • Bis(2-chlorophenyl)ethanedione

Work with 1,2-Bis(2-chlorophenyl)-1,2-ethanedione

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-Chlorobenzoyl chloride609-65-462 % similar 2-Chlorobenzoic acid118-91-259 % similar 2′-Chloroacetophenone2142-68-959 % similar 2-Chlorobenzophenone5162-03-857 % similar Phenanthrenequinone84-11-754 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-853 % similar Methyl 2-chlorobenzoate610-96-853 % similar 2-Amino-1-(2-chlorophenyl)ethanone743357-99-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4′-Biphenyldicarbonyl chloride2351-37-3 4,4′-Dichlorobenzil3457-46-3

Elsewhere

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