2-Chlorocyclopentanone

C5H7ClOCAS 694-28-0118.56 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C5H7ClO
Molar mass
118.56 g/mol
Exact mass
118.0185 Da
Density
1.87 g/mL (at 14 °C)
Boiling point
80 °C (at 10 Torr)
logP
1.35Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
694-28-0
SMILES
O=C1CCCC1Cl
InChIKey
AXDZFGRFZOQVBV-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2

Weigh it out

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

Names and synonyms

6 names
  • Cyclopentanone, 2-chloro-
  • Cyclopentanone, 2-chloro-, (±)-
  • 2-Chloro-1-cyclopentanone
  • α-Chlorocyclopentanone
  • (±)-2-Chlorocyclopentanone
  • NSC 60206

Work with 2-Chlorocyclopentanone

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

2-Chlorocyclohexanone822-87-786 % similar 2-Methylcyclopentanone1120-72-546 % similar 2-Bromocyclopentanone21943-50-046 % similar 2-Cyclopentylcyclopentanone4884-24-644 % similar 2-Acetylcyclopentanone1670-46-841 % similar 2-Oxocyclopentanecarbonitrile2941-29-941 % similar 2-Methylcyclohexanone583-60-839 % similar 2-Bromocyclohexanone822-85-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methyl-2-butenoyl chloride3350-78-5 Cyclobutanecarbonyl chloride5006-22-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook