O,O-Diethyl O-(2-Isopropyl-6-Methyl-4-Pyrimidinyl) Phosphorothioate
[CAS# 100155-47-3]

Identification

• Classification: Analytical chemistry >> Standard >> Pesticides, veterinary drugs and fertilizers
• Name: O,O-Diethyl O-(2-Isopropyl-6-Methyl-4-Pyrimidinyl) Phosphorothioate
• Synonyms: 5-23-11-00187 (Beilstein Handbook Reference); ANTIGAL; Bassadinon
• Molecular Formula: C₁₂H₂₁N₂O₃PS
• Molecular Weight: 304.35
• CAS Registry Number: 100155-47-3
• SMILES: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
• InChI: 1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
• InChIKey: FHIVAFMUCKRCQO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 353.9±44.0°C at 760 mmHg (Cal.)
• Flash point: 167.9±28.4°C (Cal.)
• Refractive index: 1.524 (Cal.)
• solubility: 0.004%

References

• (1): Isaac Adebayo Akinbulu and Tebello Nyokong. Fabrication and characterization of single walled carbon nanotubes-iron phthalocyanine nano-composite: surface properties and electron transport dynamics of its self assembled monolayer film, New J. Chem., 2010, 34, 2875.