2-hydroxyethylazanium 2-(4-nitrophenyl)sulfanylethanoate
[CAS# 105892-18-0]

Identification

• Name: 2-hydroxyethylazanium 2-(4-nitrophenyl)sulfanylethanoate
• Synonyms: 2-Hydroxyethylammonium; 2-(4-Nitrophenyl)Sulfanylacetate; 2-Hydroxyethylammonium; 2-[(4-Nitrophenyl)Thio]Acetate; 2-Hydroxyethylazanium; 2-(4-Nitrophenyl)Sulfanylethanoate
• Molecular Formula: C₁₀H₁₄N₂O₅S
• Molecular Weight: 274.29
• CAS Registry Number: 105892-18-0
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1)SCC([O-])=O.C(O)C[NH3+]
• InChI: 1S/C8H7NO4S.C2H7NO/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13;3-1-2-4/h1-4H,5H2,(H,10,11);4H,1-3H2
• InChIKey: PHGRMMVCLZDVJI-UHFFFAOYSA-N

Properties

• Boiling point: 417.2°C at 760 mmHg (Cal.)
• Flash point: 206.1°C (Cal.)