Benzenemethanesulfonic Acid 4-Nitrophenyl Ester
[CAS# 50534-57-1]

Identification

• Name: Benzenemethanesulfonic Acid 4-Nitrophenyl Ester
• Synonyms: Phenylmethanesulfonic Acid (4-Nitrophenyl) Ester; 4-Nitrophenyl Phenylmethanesulfonate; Mls000720082
• Molecular Formula: C₁₃H₁₁NO₅S
• Molecular Weight: 293.29
• CAS Registry Number: 50534-57-1
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1)O[S](=O)(=O)CC2=CC=CC=C2
• InChI: 1S/C13H11NO5S/c15-14(16)12-6-8-13(9-7-12)19-20(17,18)10-11-4-2-1-3-5-11/h1-9H,10H2
• InChIKey: AJILLNBTDQDGTK-UHFFFAOYSA-N

Properties

• Density: 1.417g/cm³ (Cal.)
• Boiling point: 493.874°C at 760 mmHg (Cal.)
• Flash point: 252.486°C (Cal.)