chempirical

Malonyl chloride

C3H2Cl2O2CAS 1663-67-8140.95 g/mol

Open in Covalent MOL file
OClOCl
Acyl halide

Properties

Molecular formula
C3H2Cl2O2
Molar mass
140.95 g/mol
Exact mass
139.9432 Da
Boiling point
58–60 °C (at 28 Torr)
logP
0.91Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1663-67-8
SMILES
O=C(Cl)CC(=O)Cl
InChIKey
SXYFKXOFMCIXQW-UHFFFAOYSA-N
InChI
InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2

Weigh it out

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

Names and synonyms

8 names
  • Propanedioyl dichloride
  • Malonoyl chloride
  • Malonoyl dichloride
  • Malonyl dichloride
  • Malonic acid dichloride
  • Malonic acid chloride
  • NSC 66410
  • 1,3-Dichloro-1,3-propanedione

Work with Malonyl chloride

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

Succinyl chloride543-20-460 % similar Adipoyl chloride111-50-253 % similar Glutaryl chloride2873-74-753 % similar Chloroacetyl chloride79-04-953 % similar Suberoyl chloride10027-07-350 % similar Sebacoyl chloride111-19-350 % similar Azelaoyl chloride123-98-850 % similar Bromoacetyl chloride22118-09-850 % similar

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

Elsewhere

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