4,4′-Dichlorobenzil

C₁₄H₈Cl₂O₂CAS 3457-46-3279.12 g/mol

Open in Covalent MOL file

Aryl halide Ketone

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

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