1-Nitroso-2-Pyrrolidinemethanol 4-Methylbenzenesulfonate (Ester)
[CAS# 66398-64-9]

Identification

• Name: 1-Nitroso-2-Pyrrolidinemethanol 4-Methylbenzenesulfonate (Ester)
• Synonyms: 4-Methylbenzenesulfonic Acid (1-Nitroso-2-Pyrrolidinyl)Methyl Ester; 4-Methylbenzenesulfonic Acid (1-Nitrosopyrrolidin-2-Yl)Methyl Ester; 2-Pyrrolidinemethanol, 1-Nitroso-, 4-Methylbenzenesulfonate (Ester)
• Molecular Formula: C₁₂H₁₆N₂O₄S
• Molecular Weight: 284.33
• CAS Registry Number: 66398-64-9
• SMILES: C1=CC(=CC=C1[S](=O)(=O)OCC2N(CCC2)N=O)C
• InChI: 1S/C12H16N2O4S/c1-10-4-6-12(7-5-10)19(16,17)18-9-11-3-2-8-14(11)13-15/h4-7,11H,2-3,8-9H2,1H3
• InChIKey: VZAJBRLBQNECNI-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 484.637°C at 760 mmHg (Cal.)
• Flash point: 246.9°C (Cal.)