Thionyl chloride

SOCl2CAS 7719-09-7118.96 g/mol

Open in Covalent MOL file
OSClCl

Properties

Molecular formula
SOCl2
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

Danger
Corrosive (GHS05)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 016-015-00-0), via PubChem.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

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

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ .
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ .
[M + H]+
[M + H]+ Calcd for Cl2HOS 118.9120
[M + Na]+
[M + Na]+ Calcd for Cl2NaOS 140.8939

Weigh it out

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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

PubChem CAS Common Chemistry NIST WebBook Wikipedia