1,5-Dichloro-3-pentanone

C5H8Cl2OCAS 3592-25-4155.02 g/mol

Open in Covalent MOL file
OClCl
Alkyl halideKetone

Properties

Molecular formula
C5H8Cl2O
Molar mass
155.02 g/mol
Exact mass
153.9952 Da
Boiling point
74 °C (at 0.8 Torr)
logP
1.81Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3592-25-4
SMILES
O=C(CCCl)CCCl
InChIKey
LYJQMHVYFFZQGY-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Cl2O/c6-3-1-5(8)2-4-7/h1-4H2

Weigh it out

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

Names and synonyms

3 names
  • 3-Pentanone, 1,5-dichloro-
  • Bis(2-chloroethyl) ketone
  • 1,5-Dichloropentan-3-one

Work with 1,5-Dichloro-3-pentanone

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

1,7-Dichloroheptan-4-one40624-07-567 % similar 1,4-Cyclohexanedione637-88-753 % similar 3-Chloropropionyl chloride625-36-550 % similar 3-Chloropropionic acid107-94-848 % similar 4-Chloro-2-butanone6322-49-248 % similar Cyclobutanone1191-95-347 % similar Cyclopentanone120-92-347 % similar Cyclohexanone108-94-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chlorovaleryl chloride1575-61-7 3-Chloro-2,2-dimethylpropanoyl chloride4300-97-4 3,3-Bis(chloromethyl)oxetane78-71-7

Elsewhere

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