chempirical

Thionyl chloride

Cl2OSCAS 7719-09-7118.96 g/mol

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OSClCl

Properties

Molecular formula
Cl2OS
Molar mass
118.96 g/mol
Exact mass
117.9047 Da
Density
1.638 g/mL (at 20 °C)
Melting point
−104.5 °C
Boiling point
76 °C
logP
1.04Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7719-09-7
SMILES
O=S(Cl)Cl
InChIKey
FYSNRJHAOHDILO-UHFFFAOYSA-N
InChI
InChI=1S/Cl2OS/c1-4(2)3

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Names and synonyms

10 names
  • Sulfurous oxychloride
  • Sulfurous dichloride
  • Sulfinyl chloride
  • Thionyl chloride (SOCl2)
  • Sulfur chloride oxide (Cl2SO)
  • Thionyl dichloride
  • Sulfur oxychloride (SOCl2)
  • Sulfinyl dichloride
  • Sulfur oxychloride
  • Sulfur chloride oxide (SCl2O)

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 7719-09-7. Each row opens the sheet with its composition and PDF.

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Work with Thionyl 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

Methanesulfinyl chloride676-85-731 % similar

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

Elsewhere

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