2-(2,4,6-Trinitrophenyl)Sulfanylacetic Acid
[CAS# 77092-93-4]

Identification

• Name: 2-(2,4,6-Trinitrophenyl)Sulfanylacetic Acid
• Synonyms: 2-[(2,4,6-Trinitrophenyl)Thio]Acetic Acid; 2-(2,4,6-Trinitrophenyl)Sulfanylethanoic Acid; Picrylthioglycolic Acid
• Molecular Formula: C₈H₅N₃O₈S
• Molecular Weight: 303.20
• CAS Registry Number: 77092-93-4
• SMILES: C1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-]
• InChI: 1S/C8H5N3O8S/c12-7(13)3-20-8-5(10(16)17)1-4(9(14)15)2-6(8)11(18)19/h1-2H,3H2,(H,12,13)
• InChIKey: GKLQRTFYEJZFHP-UHFFFAOYSA-N

Properties

• Density: 1.818g/cm³ (Cal.)
• Boiling point: 481.562°C at 760 mmHg (Cal.)
• Flash point: 245.04°C (Cal.)