Pentafluorobenzyl p-Toluenesulfonate
[CAS# 4455-09-8]

Identification

• Classification: Chemical reagent >> Organic reagent >> Tosylate
• Name: Pentafluorobenzyl p-Toluenesulfonate
• Synonyms: 4-Methylbenzenesulfonic Acid 2-Phenylethyl Ester; Inchi=1/C15h16o3s/C1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/H2-10H,11-12H2,1H; Zinc01726706
• Molecular Formula: C₁₅H₁₆O₃S
• Molecular Weight: 276.35
• CAS Registry Number: 4455-09-8
• SMILES: C1=CC(=CC=C1[S](OCCC2=CC=CC=C2)(=O)=O)C
• InChI: 1S/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
• InChIKey: CVPPUZPZPFOFPK-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Melting point: 38°C (Expl.)
• Boiling point: 428.725°C at 760 mmHg (Cal.)
• Flash point: 213.085°C (Cal.)

References

• (1): A. J. Kirby, J. K. Parker and P. R. Raithby. Bond length and reactivity. Structure of 2-phenylethyl p-toluenesulfonate, Acta Cryst. (1992). C48, 832-834