chempirical

Oxalyl chloride

C2Cl2O2CAS 79-37-8126.92 g/mol

Open in Covalent MOL file
OClOCl
Acyl halide

Properties

Molecular formula
C2Cl2O2
Molar mass
126.92 g/mol
Exact mass
125.9275 Da
Melting point
−16 °C
Boiling point
63.5 °C
logP
0.52Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
79-37-8
SMILES
O=C(Cl)C(=O)Cl
InChIKey
CTSLXHKWHWQRSH-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl2O2/c3-1(5)2(4)6

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Names and synonyms

9 names
  • Ethanedioyl dichloride
  • Oxalic acid dichloride
  • Oxaloyl chloride
  • Oxalyl dichloride
  • Oxalic dichloride
  • Ethanedioyl chloride
  • Oxalic acid chloride
  • Oxaloyl dichloride
  • Dichlorooxalic acid

Work with Oxalyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methacryloyl chloride920-46-744 % similar Methyl oxalyl chloride5781-53-342 % similar Phosgene75-44-538 % similar Ethyl oxalyl chloride4755-77-536 % similar Chloranil118-75-233 % similar Malonyl chloride1663-67-831 % similar O-Chloranil2435-53-231 % similar Succinyl chloride543-20-431 % similar

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

Elsewhere

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