chempirical

5-Chloro-2-pentanone

C5H9ClOCAS 5891-21-4120.58 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C5H9ClO
Molar mass
120.58 g/mol
Exact mass
120.0342 Da
Density
1.0571 g/mL (at 18 °C)
Boiling point
71–72 °C (at 20 Torr)
logP
1.59Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
5891-21-4
SMILES
CC(=O)CCCCl
InChIKey
XVRIEWDDMODMGA-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Pentanone, 5-chloro-
  • 1-Chloro-4-pentanone
  • 3-Chloropropyl methyl ketone
  • NSC 60210
  • NSC 8427

Work with 5-Chloro-2-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

6-Chloro-2-hexanone10226-30-986 % similar 4-Chloro-2-butanone6322-49-271 % similar Hexane-2,5-dione110-13-455 % similar 2-Hexanone591-78-654 % similar 5-Hydroxy-2-pentanone1071-73-452 % similar 2-Heptanone110-43-052 % similar 6-Bromo-2-hexanone10226-29-650 % similar 2-Octanone111-13-750 % similar

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

Same formula

Isovaleryl chloride108-12-3 4-Chlorotetrahydro-2H-pyran1768-64-5 2-(Chloromethyl)tetrahydrofuran3003-84-7 Pivaloyl chloride3282-30-2 Pentanoyl chloride638-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook