p-Toluenesulfonic Acid 2,4-Dichlorophenyl Ester
[CAS# 5328-03-0]

Identification

• Name: p-Toluenesulfonic Acid 2,4-Dichlorophenyl Ester
• Synonyms: 4-Methylbenzenesulfonic Acid (2,4-Dichlorophenyl) Ester; Nsc4179
• Molecular Formula: C₁₃H₁₀Cl₂O₃S
• Molecular Weight: 317.19
• CAS Registry Number: 5328-03-0
• SMILES: C1=CC(=CC=C1[S](OC2=CC=C(C=C2Cl)Cl)(=O)=O)C
• InChI: 1S/C13H10Cl2O3S/c1-9-2-5-11(6-3-9)19(16,17)18-13-7-4-10(14)8-12(13)15/h2-8H,1H3
• InChIKey: JVULAOJMCZFRSC-UHFFFAOYSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 443.124°C at 760 mmHg (Cal.)
• Flash point: 221.794°C (Cal.)

References

• (1): N. Vembu, M. Nallu, J. Garrison and W. J. Youngs. 2,4-Dichlorophenyl 4-toluenesulfonate: supramolecular aggregation through C-H...O, C-H...Cl, C-H...[pi] and [pi]...[pi] interactions, Acta Cryst. (2003). E59, o939-o941