Thiophosphoric Acid O,O-Diethyl O-(Coumarin-3-Yl) Ester
[CAS# 4935-28-8]

Identification

• Name: Thiophosphoric Acid O,O-Diethyl O-(Coumarin-3-Yl) Ester
• Synonyms: 3-Diethoxyphosphinothioyloxy-2-Chromenone; 3-Diethoxythiophosphoryloxycoumarin; Ent 27,144
• Molecular Formula: C₁₃H₁₅O₅PS
• Molecular Weight: 314.29
• CAS Registry Number: 4935-28-8
• SMILES: C1=CC=CC2=C1OC(C(=C2)O[P](=S)(OCC)OCC)=O
• InChI: 1S/C13H15O5PS/c1-3-15-19(20,16-4-2)18-12-9-10-7-5-6-8-11(10)17-13(12)14/h5-9H,3-4H2,1-2H3
• InChIKey: LWRAXFXWIOKUAY-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 415.352°C at 760 mmHg (Cal.)
• Flash point: 204.998°C (Cal.)