Thiophosphoric Acid O,O-Dimethyl O-(4-Methyl-7-Coumarinyl) Ester
[CAS# 5826-85-7]

Identification

• Name: Thiophosphoric Acid O,O-Dimethyl O-(4-Methyl-7-Coumarinyl) Ester
• Synonyms: 7-Dimethoxyphosphinothioyloxy-4-Methyl-Chromen-2-One; 7-Dimethoxyphosphinothioyloxy-4-Methyl-2-Chromenone; 7-Dimethoxythiophosphoryloxy-4-Methyl-Coumarin
• Molecular Formula: C₁₂H₁₃O₅PS
• Molecular Weight: 300.27
• CAS Registry Number: 5826-85-7
• SMILES: C1=C(O[P](=S)(OC)OC)C=CC2=C1OC(=O)C=C2C
• InChI: 1S/C12H13O5PS/c1-8-6-12(13)16-11-7-9(4-5-10(8)11)17-18(19,14-2)15-3/h4-7H,1-3H3
• InChIKey: XOYJOEBNPYQZSW-UHFFFAOYSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 400.478°C at 760 mmHg (Cal.)
• Flash point: 196.002°C (Cal.)