3-(Diethoxyphosphorylsulfanylmethyl)-1,2,3-Benzotriazin-4-One
[CAS# 39923-25-6]

Identification

• Name: 3-(Diethoxyphosphorylsulfanylmethyl)-1,2,3-Benzotriazin-4-One
• Synonyms: 3-[(Diethoxyphosphorylthio)Methyl]-1,2,3-Benzotriazin-4-One; Ai3-25611; Phosphorothioic Acid, O,O-Diethyl S-((4-Oxo-1,2,3-Benzotriazin-3(4H)-Yl)Methyl) Ester
• Molecular Formula: C₁₂H₁₆N₃O₄PS
• Molecular Weight: 329.31
• CAS Registry Number: 39923-25-6
• SMILES: C1=CC=CC2=C1N=NN(CS[P](OCC)(=O)OCC)C2=O
• InChI: 1S/C12H16N3O4PS/c1-3-18-20(17,19-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3
• InChIKey: ZADDJRKYRQDYKM-UHFFFAOYSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 437.631°C at 760 mmHg (Cal.)
• Flash point: 218.472°C (Cal.)