chempirical

4-Chloro-2-butanone

C4H7ClOCAS 6322-49-2106.55 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C4H7ClO
Molar mass
106.55 g/mol
Exact mass
106.0185 Da
Density
1.068 g/mL (at 23 °C)
Boiling point
53 °C (at 16 Torr)
logP
1.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
6322-49-2
SMILES
CC(=O)CCCl
InChIKey
MAGOYBJJLVSJIC-UHFFFAOYSA-N
InChI
InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Butanone, 4-chloro-
  • 1-Chloro-3-butanone
  • 2-Chloroethyl methyl ketone
  • β-Chloroethyl methyl ketone
  • NSC 32104
  • 4-Chlorobutan-2-one

Work with 4-Chloro-2-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

5-Chloro-2-pentanone5891-21-471 % similar 6-Chloro-2-hexanone10226-30-968 % similar Hexane-2,5-dione110-13-461 % similar Chloroacetone78-95-552 % similar 2-Pentanone107-87-950 % similar 4-Hydroxy-2-butanone590-90-948 % similar 1,5-Dichloro-3-pentanone3592-25-448 % similar 2-Hexanone591-78-646 % similar

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

Same formula

2-Chloroethyl vinyl ether110-75-8 Butyryl chloride141-75-3 3-Chloro-2-butanone4091-39-8 2-(Chloromethyl)-2-methyloxirane598-09-4 Isobutyryl chloride79-30-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook