4-Chloro-1-(4-chlorophenyl)-1-butanone

C10H10Cl2OCAS 40877-09-6217.09 g/mol

Open in Covalent MOL file
OClCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C10H10Cl2O
Molar mass
217.09 g/mol
Exact mass
216.0109 Da
Density
1.2575 g/mL (at 20 °C)
Melting point
28–31 °C
Boiling point
153–155 °C (at 2 Torr)
logP
3.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
40877-09-6
SMILES
O=C(CCCCl)c1ccc(Cl)cc1
InChIKey
UKCHLVFIVJBCKE-UHFFFAOYSA-N
InChI
InChI=1S/C10H10Cl2O/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2

Weigh it out

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

Names and synonyms

5 names
  • 1-Butanone, 4-chloro-1-(4-chlorophenyl)-
  • Butyrophenone, 4,4′-dichloro-
  • 4,4′-Dichlorobutyrophenone
  • 4-Chlorophenyl 3-chloropropyl ketone
  • 4,4'-Dichlorobutyrophenone

Work with 4-Chloro-1-(4-chlorophenyl)-1-butanone

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

3,4′-Dichloropropiophenone3946-29-079 % similar 4-Chlorobutyrophenone939-52-668 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-767 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-267 % similar 2,4′-Dichloroacetophenone937-20-261 % similar 4-Chloro-1-(4-methoxyphenyl)-1-butanone40877-19-861 % similar 4'-tert-Butyl-4-chlorobutyrophenone43076-61-561 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dichlorobutyrophenone66353-47-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook