3,4-Dichlorobenzophenone

C13H8Cl2OCAS 6284-79-3251.11 g/mol

Open in Covalent MOL file
OClCl
Aryl halideKetone

Properties

Molecular formula
C13H8Cl2O
Molar mass
251.11 g/mol
Exact mass
249.9952 Da
Melting point
102–103 °C
logP
4.22Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
6284-79-3
SMILES
O=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIKey
LLUPHTAYNHAVQT-UHFFFAOYSA-N
InChI
InChI=1S/C13H8Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

7 names
  • Methanone, (3,4-dichlorophenyl)phenyl-
  • Benzophenone, 3,4-dichloro-
  • (3,4-Dichlorophenyl)phenylmethanone
  • 3,4-Dichlorophenyl phenyl ketone
  • Phenyl 3,4-dichlorophenyl ketone
  • NSC 5249
  • (3,4-Dichlorophenyl)(phenyl)methanone

Work with 3,4-Dichlorobenzophenone

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

1,3-Dibenzoylbenzene3770-82-967 % similar 4-Chloro-3-nitrobenzophenone56107-02-962 % similar 1,4-Dibenzoylbenzene3016-97-562 % similar 3-Chlorobenzophenone1016-78-061 % similar 2-Chlorobenzophenone5162-03-861 % similar 4-Chlorobenzophenone134-85-060 % similar Benzophenone119-61-958 % similar 1,3,5-Tribenzoylbenzene25871-69-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichlorobenzophenone16611-67-9 2,4-Dichlorobenzophenone19811-05-3 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-8 4-(3,4-Dichlorophenyl)benzaldehyde50670-78-5 2,4'-Dichlorobenzophenone85-29-0 4,4′-Dichlorobenzophenone90-98-2

Elsewhere

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