chempirical

Itaconyl chloride

C5H4Cl2O2CAS 1931-60-8166.99 g/mol

Open in Covalent MOL file
OClOCl
Acyl halideAlkene

Properties

Molecular formula
C5H4Cl2O2
Molar mass
166.99 g/mol
Exact mass
165.9588 Da
logP
1.46Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1931-60-8
SMILES
C=C(CC(=O)Cl)C(=O)Cl
InChIKey
CGCRIQNPIBHVCQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Cl2O2/c1-3(5(7)9)2-4(6)8/h1-2H2

Weigh it out

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

Names and synonyms

8 names
  • 2-Methylidenebutanedioyl dichloride
  • 2,2-Methylenesuccinyl dichloride
  • 2-Methylenebutanedioyl dichloride
  • Succinyl chloride, methylene
  • Butanedioyl dichloride, methylene-
  • 2-Methylenesuccinyl chloride
  • Methylenesuccinyl chloride
  • 2-Methylene-butanedioyl dichloride

Work with Itaconyl 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

Malonyl chloride1663-67-850 % similar Succinyl chloride543-20-438 % similar Oxalyl chloride79-37-836 % similar Methacryloyl chloride920-46-736 % similar Methyl 3-chloro-3-oxopropanoate37517-81-035 % similar Glutaryl chloride2873-74-735 % similar Chloroacetyl chloride79-04-935 % similar Bromoacetyl chloride22118-09-833 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook