Mesotrione
[CAS# 435270-61-4]

Identification

• Name: Mesotrione
• Synonyms: 2-(4-Methylsulfonyl-2-Nitro-Benzoyl)Cyclohexane-1,3-Dione; 2-[(4-Methylsulfonyl-2-Nitrophenyl)-Oxomethyl]Cyclohexane-1,3-Dione; 2-(4-Mesyl-2-Nitro-Benzoyl)Cyclohexane-1,3-Quinone
• Molecular Formula: C₁₄H₁₃NO₇S
• Molecular Weight: 339.32
• CAS Registry Number: 435270-61-4
• SMILES: C1=C([N+]([O-])=O)C(=CC=C1[S](=O)(=O)C)C(=O)C2C(=O)CCCC2=O
• InChI: 1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
• InChIKey: KPUREKXXPHOJQT-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 643.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 342.9±31.5°C (Cal.)

References

• (1): Christos Mastichiadis, Ion Christofidis, Michael A. Koupparis, Caroline Willetts and Sotiris E. Kakabakos. Solid-phase fluoroimmunoassay for the determination of mesotrione —a novel triketone herbicide— in water with direct measurement of the fluorescence onto the solid support, Analyst, 2003, 128, 404.