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CAS No 104206-82-8 , 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione

  • Name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione
  • Synonyms: (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione; 104206-82-8;2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione;Mesotrione; 2-(4-Mesyl-2-nitrobenzoyl)-1,3-cyclohexanedione; NCGC00163843-03;
  • CAS Registry Number:
  • Transport: UN 3077
  • Melting Point: 165 deg C
  • Flash Point: 342.9°C
  • Boiling Point: 643.3°Cat760mmHg
  • Density: 1.474g/cm3
  • Refractive index: 1.583
  • Safety Statements: R50/53
  • Hazard Symbols: N: Dangerous for the environment;
  • Flash Point: 342.9°C
  • Molecular Weight: 339.32052
  • InchiKey: KPUREKXXPHOJQT-UHFFFAOYSA-N
  • InChI: 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
  • Risk Statements: S60;S61
  • Molecular Formula: C14H13NO7S
  • Molecular Structure:CAS No:104206-82-8 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione

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References of 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione
Title: Mesotrione
CAS Registry Number: 104206-82-8
CAS Name: 2-[4-(Methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione
Manufacturers' Codes: ZA-1296
Trademarks: Callisto (Syngenta)
Molecular Formula: C14H13NO7S
Molecular Weight: 339.32
Percent Composition: C 49.55%, H 3.86%, N 4.13%, O 33.01%, S 9.45%
Literature References: Triketone herbicide for use in maize; inhibits p-hydroxyphenylpyruvate dioxygenase (HPPD). Synthetic mimic of leptospermone, a natural herbicide produced by the bottlebrush plant, Callistemon citrinus Stapf. Prepn: C. G. Carter, EP 186118 (1986 to Stauffer); idem, US 5006158 (1991 to ICI). Comprehensive description: R. A. Wichert et al., Brighton Crop Prot. Conf. - Weeds 1999, 105-110. HPLC determn in crops, soil, water: P. Alferness, L. Wiebe, J. Agric. Food Chem. 50, 3926 (2002). Adsorption and degradation in soil: J. S. Dyson et al., J. Environ. Qual. 31, 613 (2002). Review: G. Mitchell et al., Pest Manage. Sci. 57, 120-128 (2001).
Properties: Opaque solid, mp 165°. pKa (20°): 3.12. Vapor pressure (20°): 4.27 ′ 10-8 mm Hg. Soly in water at 20° (g/l): 2.2 (pH 4.8); 15 (pH 6.9); 22 (pH 9). LD50 in rats (mg/kg): >5000 orally; >2000 dermally. LC50 in rats (mg/l): >5 by inhalation. LC50 (96 hr) in bluegill sunfish, rainbow trout (mg/l): >120, >120 (Wichert).
Melting point: mp 165°
pKa: pKa (20°): 3.12
Toxicity data: LD50 in rats (mg/kg): >5000 orally; >2000 dermally; LC50 in rats (mg/l): >5 by inhalation; LC50 (96 hr) in bluegill sunfish, rainbow trout (mg/l): >120, >120
Use: Herbicide.