chempirical

2,2-Dichloroacetophenone

C8H6Cl2OCAS 2648-61-5189.03 g/mol

Open in Covalent MOL file
OClCl
Alkyl halideKetone

Properties

Molecular formula
C8H6Cl2O
Molar mass
189.03 g/mol
Exact mass
187.9796 Da
Density
1.3392 g/mL (at 20 °C)
Melting point
20.5 °C
Boiling point
249 °C
logP
2.67Crippen 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, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2648-61-5
SMILES
O=C(c1ccccc1)C(Cl)Cl
InChIKey
CERJZAHSUZVMCH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 2,2-dichloro-1-phenyl-
  • Acetophenone, 2,2-dichloro-
  • 2,2-Dichloro-1-phenylethanone
  • ω,ω-Dichloroacetophenone
  • α,α-Dichloroacetophenone
  • Phenacylidene dichloride
  • NSC 53617
  • 2,2-Dichloro-1-phenylethan-1-one

Work with 2,2-Dichloroacetophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Desyl chloride447-31-463 % similar 2-Chloro-1-phenyl-1-propanone6084-17-961 % similar Phenylglyoxal1075-06-556 % similar Benzoylcyclopropane3481-02-556 % similar Isobutyrophenone611-70-156 % similar 2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-154 % similar α-Bromopropiophenone2114-00-352 % similar Cyclobutyl phenyl ketone5407-98-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3',5'-Dichloroacetophenone14401-72-0 2′,6′-Dichloroacetophenone2040-05-3 2,3'-Dichloroacetophenone21886-56-6 2',4'-Dichloroacetophenone2234-16-4 1-(2,5-Dichlorophenyl)ethanone2476-37-1 4-Chlorobenzeneacetyl chloride25026-34-0 3′,4′-Dichloroacetophenone2642-63-9 α-Chlorobenzeneacetyl chloride2912-62-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook