chempirical

Azelaoyl chloride

C9H14Cl2O2CAS 123-98-8225.11 g/mol

Open in Covalent MOL file
OClOCl
Acyl halide

Properties

Molecular formula
C9H14Cl2O2
Molar mass
225.11 g/mol
Exact mass
224.0371 Da
Boiling point
153–157 °C (at 6.5 Torr)
logP
3.25Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Hazards

Danger
Corrosive (GHS05)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
123-98-8
SMILES
O=C(Cl)CCCCCCCC(=O)Cl
InChIKey
HGEVGSTXQGZPCL-UHFFFAOYSA-N
InChI
InChI=1S/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2

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Names and synonyms

9 names
  • Nonanedioyl dichloride
  • Azelaic acid chloride
  • Azelaoyl dichloride
  • Nonanedioyl chloride
  • Azelaic acid dichloride
  • Nonanedioic dichloride
  • NSC 519866
  • Azelaoyl acid dichloride
  • Azelaic dichloride

Work with Azelaoyl 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

Suberoyl chloride10027-07-3100 % similar Sebacoyl chloride111-19-3100 % similar Adipoyl chloride111-50-293 % similar Glutaryl chloride2873-74-781 % similar Octanoyl chloride111-64-871 % similar Decanoyl chloride112-13-071 % similar Lauroyl chloride112-16-371 % similar Tetradecanoyl chloride112-64-171 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia