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p-Toluenesulfonic Acid Phenyl Ester
[CAS# 640-60-8]

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Identification
Classification Chemical reagent >> Organic reagent >> Tosylate
Name p-Toluenesulfonic Acid Phenyl Ester
Synonyms 4-Methylbenzenesulfonic Acid Phenyl Ester; Nsc14917; Zinc01706217
Molecular Structure CAS#: 640-60-8, p-Toluenesulfonic Acid Phenyl Ester
Molecular Formula C13H12O3S
Molecular Weight 248.30
CAS Registry Number 640-60-8
SMILES C1=CC(=CC=C1[S](OC2=CC=CC=C2)(=O)=O)C
InChI 1S/C13H12O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey KZQFPRKQBWRRHQ-UHFFFAOYSA-N
Properties
Density 1.245g/cm3 (Cal.)
Melting point 96°C (Expl.)
Boiling point 385.824°C at 760 mmHg (Cal.)
Flash point 187.14°C (Cal.)
Safety Data
SDS Available
References
(1) V. Manivannan, N. Vembu, M. Nallu, K. Sivakumar and A. Linden. Phenyl 4-toluenesulfonate: supramolecular aggregation through weak C-H...O and C-H...[pi] interactions, Acta Cryst. (2005). E61, o690-o692 
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